3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide

C12H19ClN4O — CID 79651397

IUPAC3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(n2cc(Cl)cn2)C1
InChIInChI=1S/C12H19ClN4O/c1-8(2)16-12(11(14)18)4-3-10(5-12)17-7-9(13)6-15-17/h6-8,10,16H,3-5H2,1-2H3,(H2,14,18)
InChIKeyPNGBKCIWQQTFSS-UHFFFAOYSA-N
MW270.76 g/mol
LogP1.48
Rot. Bonds4

About 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide

3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide (PubChem CID 79651397) has the molecular formula C12H19ClN4O and a molecular weight of 270.76 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
PubChem CID79651397
Molecular FormulaC12H19ClN4O
Molecular Weight270.76 g/mol
Exact Mass270.12
IUPAC Name3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
SMILESCC(C)NC1(C(N)=O)CCC(n2cc(Cl)cn2)C1
InChIInChI=1S/C12H19ClN4O/c1-8(2)16-12(11(14)18)4-3-10(5-12)17-7-9(13)6-15-17/h6-8,10,16H,3-5H2,1-2H3,(H2,14,18)
InChIKeyPNGBKCIWQQTFSS-UHFFFAOYSA-N
XLogP1.48
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.76
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylic acid
CID 79651468
3-(4-chloropyrazol-1-yl)-1-(cyclopropylamino)cyclohexane-1-carboxamide
CID 79637451
ethyl 3-(4-iodopyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxylate
CID 79649106
3-(4-chloropyrazol-1-yl)-1-(ethylamino)cyclohexane-1-carboxylic acid
CID 79637295
1-(methylamino)-3-(4-phenylpyrazol-1-yl)cyclopentane-1-carboxamide
CID 79646407
1-(cyclopropylamino)-3-[4-(trifluoromethyl)pyrazol-1-yl]cyclopentane-1-carboxamide
CID 79646419
1-(cyclopropylamino)-3-(4-iodopyrazol-1-yl)cyclopentane-1-carboxamide
CID 79648337
3-(4-bromopyrazol-1-yl)-1-(cyclopropylamino)cyclopentane-1-carboxamide
CID 79651042
3-(3,5-dimethylpiperidin-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 79649924
3-(4-iodopyrazol-1-yl)-1-(methylamino)cyclohexane-1-carboxamide
CID 79638137
3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
CID 79649186
1-amino-3-(4-methylpyrazol-1-yl)cyclohexane-1-carboxamide
CID 79637821

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide (CID 79651397) is 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide is CC(C)NC1(C(N)=O)CCC(n2cc(Cl)cn2)C1.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
The InChIKey is PNGBKCIWQQTFSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19ClN4O/c1-8(2)16-12(11(14)18)4-3-10(5-12)17-7-9(13)6-15-17/h6-8,10,16H,3-5H2,1-2H3,(H2,14,18).
What are the key properties of 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide?
3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide has a molecular weight of 270.76 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-1-(propan-2-ylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79651397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).