cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide

C11H17ClN4O — CID 56901063

IUPACcis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CC[C@H](C(=O)NCCn2cc(Cl)cn2)C1
InChIInChI=1S/C11H17ClN4O/c12-9-6-15-16(7-9)4-3-14-11(17)8-1-2-10(13)5-8/h6-8,10H,1-5,13H2,(H,14,17)/t8-,10+/m0/s1
InChIKeyRQURPRCDKJSYIF-WCBMZHEXSA-N
MW256.74 g/mol
LogP0.78
Rot. Bonds4

About cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide

cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 56901063) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID56901063
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Namecis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
SMILESN[C@@H]1CC[C@H](C(=O)NCCn2cc(Cl)cn2)C1
InChIInChI=1S/C11H17ClN4O/c12-9-6-15-16(7-9)4-3-14-11(17)8-1-2-10(13)5-8/h6-8,10H,1-5,13H2,(H,14,17)/t8-,10+/m0/s1
InChIKeyRQURPRCDKJSYIF-WCBMZHEXSA-N
XLogP0.78
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide 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

1-(2-amino-2-oxoethyl)-N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-4-piperidinecarboxamide
CID 70760807
1-(2-{[2-(4-chloro-1H-pyrazol-1-yl)ethyl]amino}-2-oxoethyl)-4-piperidinecarboxamide
CID 72893561
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1-(cyclopropylcarbonyl)-4-piperidinecarboxamide
CID 72899748
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-3-[(1S,9aR)-octahydro-2H-quinolizin-1-yl]propanamide
CID 72861412
(3R*,4S*)-1-[(4-chloro-1H-pyrazol-1-yl)acetyl]-4-cyclopropyl-3-pyrrolidinamine
CID 72878214
N-[3-(4-chloro-1H-pyrazol-1-yl)propyl]-2-(1-ethyl-4-piperidinyl)acetamide
CID 72933065
8-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-1,8-diazaspiro[4.5]decan-2-one
CID 91842379
3-amino-N-[1-(2,2-difluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 119792855
3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide;hydrochloride
CID 119796052
3-amino-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]cyclopentane-1-carboxamide
CID 119796053
(4S)-4-amino-1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]-N-isopropyl-L-prolinamide
CID 56708481

Frequently Asked Questions

What is the IUPAC name of cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide (CID 56901063) is cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide is N[C@@H]1CC[C@H](C(=O)NCCn2cc(Cl)cn2)C1.
What is the InChIKey of cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is RQURPRCDKJSYIF-WCBMZHEXSA-N. The full InChI is InChI=1S/C11H17ClN4O/c12-9-6-15-16(7-9)4-3-14-11(17)8-1-2-10(13)5-8/h6-8,10H,1-5,13H2,(H,14,17)/t8-,10+/m0/s1.
What are the key properties of cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide has a molecular weight of 256.74 g/mol, XLogP of 0.78, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3R)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 56901063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).