4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide

C13H22N4O — CID 74247815

IUPAC4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
SMILESO=C(CCCc1cn[nH]c1)NCC[C@@H]1CCCN1
InChIInChI=1S/C13H22N4O/c18-13(5-1-3-11-9-16-17-10-11)15-8-6-12-4-2-7-14-12/h9-10,12,14H,1-8H2,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeySHZCYEBJKYNIOR-LBPRGKRZSA-N
MW250.35 g/mol
LogP0.99
Rot. Bonds7

About 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide

4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide (PubChem CID 74247815) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide.

Molecular Properties

Compound Name4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
PubChem CID74247815
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide
SMILESO=C(CCCc1cn[nH]c1)NCC[C@@H]1CCCN1
InChIInChI=1S/C13H22N4O/c18-13(5-1-3-11-9-16-17-10-11)15-8-6-12-4-2-7-14-12/h9-10,12,14H,1-8H2,(H,15,18)(H,16,17)/t12-/m0/s1
InChIKeySHZCYEBJKYNIOR-LBPRGKRZSA-N
XLogP0.99
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 50.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-[3-(N-6-aminocaproyl)aminopropyl]-pyrazole
CID 22754935
N-[(1S*,2R*)-2-(cycloheptylamino)cyclobutyl]-4-(1H-pyrazol-4-yl)butanamide
CID 56908193
N,N-dimethyl-1-[4-(1H-pyrazol-4-yl)butanoyl]-4-azepanamine
CID 56908749
1-[(3aS,6aS)-1-methyl-2,3,3a,4,6,6a-hexahydropyrrolo[2,3-c]pyrrol-5-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 70782329
1-[(3R,4R)-3-hydroxy-3,4-dimethylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72837287
(3R*,4S*)-4-cyclopropyl-1-[4-(1H-pyrazol-4-yl)butanoyl]pyrrolidin-3-amine
CID 72849771
1-[(3R,4S)-3-amino-4-propylpyrrolidin-1-yl]-4-(1H-pyrazol-4-yl)butan-1-one
CID 72851912
N-[(3R*,4S*)-4-cyclopropyl-1-(2,2-dimethylpropanoyl)pyrrolidin-3-yl]-4-(1H-pyrazol-4-yl)butanamide
CID 72866841
(1S*,6R*)-9-[4-(1H-pyrazol-4-yl)butanoyl]-3,9-diazabicyclo[4.2.1]nonane
CID 74243011
4-{4-[(2R)-2-(methoxymethyl)pyrrolidin-1-yl]-4-oxobutyl}-1H-pyrazole
CID 74244299
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
1-(cyclohexylcarbonyl)-N-[2-(1H-pyrazol-4-yl)ethyl]-L-prolinamide
CID 86286284

Frequently Asked Questions

What is the IUPAC name of 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide?
The IUPAC name of 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide (CID 74247815) is 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide.
What is the SMILES notation for 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide?
The canonical SMILES for 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide is O=C(CCCc1cn[nH]c1)NCC[C@@H]1CCCN1.
What is the InChIKey of 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide?
The InChIKey is SHZCYEBJKYNIOR-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H22N4O/c18-13(5-1-3-11-9-16-17-10-11)15-8-6-12-4-2-7-14-12/h9-10,12,14H,1-8H2,(H,15,18)(H,16,17)/t12-/m0/s1.
What are the key properties of 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide?
4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide has a molecular weight of 250.35 g/mol, XLogP of 0.99, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-pyrazol-4-yl)-N-[2-[(2S)-pyrrolidin-2-yl]ethyl]butanamide is sourced from PubChem (CID 74247815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).