(2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide

C15H25N5O3S — CID 125160134

IUPAC(2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2)N1CCCC1
InChIInChI=1S/C15H25N5O3S/c1-12(18-5-3-4-6-18)15(21)16-10-13-9-14-11-19(24(2,22)23)7-8-20(14)17-13/h9,12H,3-8,10-11H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeyWUNDPVPSTBSTPV-LBPRGKRZSA-N
MW355.46 g/mol
LogP-0.24
Rot. Bonds5

About (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide

(2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide (PubChem CID 125160134) has the molecular formula C15H25N5O3S and a molecular weight of 355.46 g/mol. Its IUPAC name is (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide.

Molecular Properties

Compound Name(2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide
PubChem CID125160134
Molecular FormulaC15H25N5O3S
Molecular Weight355.46 g/mol
Exact Mass355.17
IUPAC Name(2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide
SMILESC[C@@H](C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2)N1CCCC1
InChIInChI=1S/C15H25N5O3S/c1-12(18-5-3-4-6-18)15(21)16-10-13-9-14-11-19(24(2,22)23)7-8-20(14)17-13/h9,12H,3-8,10-11H2,1-2H3,(H,16,21)/t12-/m0/s1
InChIKeyWUNDPVPSTBSTPV-LBPRGKRZSA-N
XLogP-0.24
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.46
LogP ≤ 5-0.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-2-propoxypropanamide
CID 96573352
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
CID 70781221
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
5-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]thiophene-3-carboxamide
CID 122569401
2,2-dimethyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]oxane-4-carboxamide
CID 118769780
N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 118792795
5-methyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazine-2-carboxamide
CID 70739116
2-ethyl-4-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-1,3-oxazole-5-carboxamide
CID 122563446
5-ethyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,2-oxazole-3-carboxamide
CID 70773139
4-ethyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]thiadiazole-5-carboxamide
CID 72839629
N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
CID 118776980
(2S)-N-[(4-methylphenyl)methyl]-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31873600

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The IUPAC name of (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide (CID 125160134) is (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide.
What is the SMILES notation for (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The canonical SMILES for (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide is C[C@@H](C(=O)NCc1cc2n(n1)CCN(S(C)(=O)=O)C2)N1CCCC1.
What is the InChIKey of (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
The InChIKey is WUNDPVPSTBSTPV-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N5O3S/c1-12(18-5-3-4-6-18)15(21)16-10-13-9-14-11-19(24(2,22)23)7-8-20(14)17-13/h9,12H,3-8,10-11H2,1-2H3,(H,16,21)/t12-/m0/s1.
What are the key properties of (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide?
(2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide has a molecular weight of 355.46 g/mol, XLogP of -0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide is sourced from PubChem (CID 125160134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).