N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide

C12H20N4O — CID 56739445

IUPACN-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESN[C@@H]1CC[C@@H](NC(=O)CCCc2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O/c13-10-4-5-11(6-10)16-12(17)3-1-2-9-7-14-15-8-9/h7-8,10-11H,1-6,13H2,(H,14,15)(H,16,17)/t10-,11-/m1/s1
InChIKeyOJSPGOMILYEZST-GHMZBOCLSA-N
MW236.32 g/mol
LogP0.73
Rot. Bonds5

About N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide

N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide (PubChem CID 56739445) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide.

Molecular Properties

Compound NameN-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide
PubChem CID56739445
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC NameN-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide
SMILESN[C@@H]1CC[C@@H](NC(=O)CCCc2cn[nH]c2)C1
InChIInChI=1S/C12H20N4O/c13-10-4-5-11(6-10)16-12(17)3-1-2-9-7-14-15-8-9/h7-8,10-11H,1-6,13H2,(H,14,15)(H,16,17)/t10-,11-/m1/s1
InChIKeyOJSPGOMILYEZST-GHMZBOCLSA-N
XLogP0.73
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.73
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
(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
N-(cis-4-aminocyclohexyl)-4-(1H-pyrazol-4-yl)butanamide
CID 74245889
4-(1H-Pyrazol-4-YL)-N-{2-[(2S)-pyrrolidin-2-YL]ethyl}butanamide
CID 74247815
(2R)-2-Amino-2-cyclohexyl-N-[2-(1H-pyrazol-4-YL)ethyl]acetamide
CID 90653977
N-[(1-Propylcyclobutyl)methyl]-3-(1H-pyrazol-4-YL)propanamide
CID 122562960

Frequently Asked Questions

What is the IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide?
The IUPAC name of N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide (CID 56739445) is N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide.
What is the SMILES notation for N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide?
The canonical SMILES for N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide is N[C@@H]1CC[C@@H](NC(=O)CCCc2cn[nH]c2)C1.
What is the InChIKey of N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide?
The InChIKey is OJSPGOMILYEZST-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H20N4O/c13-10-4-5-11(6-10)16-12(17)3-1-2-9-7-14-15-8-9/h7-8,10-11H,1-6,13H2,(H,14,15)(H,16,17)/t10-,11-/m1/s1.
What are the key properties of N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide?
N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide has a molecular weight of 236.32 g/mol, XLogP of 0.73, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,3R)-3-aminocyclopentyl]-4-(1H-pyrazol-4-yl)butanamide is sourced from PubChem (CID 56739445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).