N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine

C14H16F3N5O2S — CID 118776980

IUPACN-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)N1CCn2nc(CNc3ncccc3C(F)(F)F)cc2C1
InChIInChI=1S/C14H16F3N5O2S/c1-25(23,24)21-5-6-22-11(9-21)7-10(20-22)8-19-13-12(14(15,16)17)3-2-4-18-13/h2-4,7H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyQXRDVKMQZRIWPI-UHFFFAOYSA-N
MW375.38 g/mol
LogP1.68
Rot. Bonds4

About N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine

N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine (PubChem CID 118776980) has the molecular formula C14H16F3N5O2S and a molecular weight of 375.38 g/mol. Its IUPAC name is N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
PubChem CID118776980
Molecular FormulaC14H16F3N5O2S
Molecular Weight375.38 g/mol
Exact Mass375.10
IUPAC NameN-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine
SMILESCS(=O)(=O)N1CCn2nc(CNc3ncccc3C(F)(F)F)cc2C1
InChIInChI=1S/C14H16F3N5O2S/c1-25(23,24)21-5-6-22-11(9-21)7-10(20-22)8-19-13-12(14(15,16)17)3-2-4-18-13/h2-4,7H,5-6,8-9H2,1H3,(H,18,19)
InChIKeyQXRDVKMQZRIWPI-UHFFFAOYSA-N
XLogP1.68
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.38
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-pyrrolidin-1-ylpropanamide
CID 125160134
5-methyl-N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]thiophene-3-carboxamide
CID 122569401
2-[[[3-(trifluoromethyl)-2-pyridinyl]amino]methyl]pyridine-4-carboxylic acid
CID 114324570
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]-1,3-benzoxazol-2-amine
CID 70746938
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]piperidine-1-carboxamide
CID 70781221
6-methyl-4-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrimidine-2,4-diamine
CID 70773622
5-methyl-N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]pyrazine-2-carboxamide
CID 70739116
N-[(5-methylsulfonyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]cyclohexanecarboxamide
CID 70732727
N-ethyl-3-(trifluoromethyl)pyridin-2-amine
CID 23541253
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
(2S)-4-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-2-(trifluoromethyl)morpholine
CID 95870603
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

Frequently Asked Questions

What is the IUPAC name of N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine (CID 118776980) is N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine is CS(=O)(=O)N1CCn2nc(CNc3ncccc3C(F)(F)F)cc2C1.
What is the InChIKey of N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
The InChIKey is QXRDVKMQZRIWPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N5O2S/c1-25(23,24)21-5-6-22-11(9-21)7-10(20-22)8-19-13-12(14(15,16)17)3-2-4-18-13/h2-4,7H,5-6,8-9H2,1H3,(H,18,19).
What are the key properties of N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine?
N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine has a molecular weight of 375.38 g/mol, XLogP of 1.68, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)methyl]-3-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 118776980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).