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

C11H17ClN4O — CID 133120673

IUPACcis-(1R,3S)-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+/m1/s1
InChIKeyRQURPRCDKJSYIF-SCZZXKLOSA-N
MW256.74 g/mol
LogP0.78
Rot. Bonds4

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

cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide (PubChem CID 133120673) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Namecis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide
PubChem CID133120673
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Namecis-(1R,3S)-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+/m1/s1
InChIKeyRQURPRCDKJSYIF-SCZZXKLOSA-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

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Related Compounds

N-[3-(4-chloropyrazol-1-yl)propyl]cyclopropanecarboxamide
CID 19330222
4-amino-N-[2-(4-methylpyrazol-1-yl)ethyl]cyclohexane-1-carboxamide
CID 114130686
(3R,6S)-1-acetyl-6-amino-N-[3-(4-chloropyrazol-1-yl)propyl]azepane-3-carboxamide
CID 165421933
(4aR,6S,8aR)-N-[2-(4-chloropyrazol-1-yl)ethyl]-3,4,4a,5,6,7,8,8a-octahydro-2H-benzo[b][1,4]oxazine-6-carboxamide;hydrochloride
CID 163334385
1-[2-[(3-aminocyclopentanecarbonyl)amino]ethyl]triazole-4-carboxylic acid
CID 107500233
cis-(1S,2R)-2-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 51699124
N-[4-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohexyl]oxolane-3-carboxamide
CID 169420827
(3R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 97136827
(1R,6R)-6-[2-(4-chloropyrazol-1-yl)ethylcarbamoyl]cyclohex-3-ene-1-carboxylic acid
CID 51699055
cis-(1R,2S)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698986
cis-(1S,2R)-N-[2-(4-chloropyrazol-1-yl)ethyl]-2-phenylcyclopropane-1-carboxamide
CID 51698983
2-(4-chloropyrazol-1-yl)-N-[2-(4-chloropyrazol-1-yl)ethyl]acetamide
CID 19283543

Frequently Asked Questions

What is the IUPAC name of cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The IUPAC name of cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide (CID 133120673) is cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide.
What is the SMILES notation for cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The canonical SMILES for cis-(1R,3S)-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-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
The InChIKey is RQURPRCDKJSYIF-SCZZXKLOSA-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+/m1/s1.
What are the key properties of cis-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide?
cis-(1R,3S)-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-(1R,3S)-3-amino-N-[2-(4-chloropyrazol-1-yl)ethyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 133120673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).