3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide

C11H17ClN4O — CID 79649186

IUPAC3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(n2cc(Cl)c(C)n2)C1
InChIInChI=1S/C11H17ClN4O/c1-7-9(12)6-16(15-7)8-3-4-11(5-8,14-2)10(13)17/h6,8,14H,3-5H2,1-2H3,(H2,13,17)
InChIKeySPSAFPCDFJAWIG-UHFFFAOYSA-N
MW256.74 g/mol
LogP1.01
Rot. Bonds3

About 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide

3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide (PubChem CID 79649186) has the molecular formula C11H17ClN4O and a molecular weight of 256.74 g/mol. Its IUPAC name is 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
PubChem CID79649186
Molecular FormulaC11H17ClN4O
Molecular Weight256.74 g/mol
Exact Mass256.11
IUPAC Name3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide
SMILESCNC1(C(N)=O)CCC(n2cc(Cl)c(C)n2)C1
InChIInChI=1S/C11H17ClN4O/c1-7-9(12)6-16(15-7)8-3-4-11(5-8,14-2)10(13)17/h6,8,14H,3-5H2,1-2H3,(H2,13,17)
InChIKeySPSAFPCDFJAWIG-UHFFFAOYSA-N
XLogP1.01
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide?
The IUPAC name of 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide (CID 79649186) is 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide.
What is the SMILES notation for 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide?
The canonical SMILES for 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide is CNC1(C(N)=O)CCC(n2cc(Cl)c(C)n2)C1.
What is the InChIKey of 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide?
The InChIKey is SPSAFPCDFJAWIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O/c1-7-9(12)6-16(15-7)8-3-4-11(5-8,14-2)10(13)17/h6,8,14H,3-5H2,1-2H3,(H2,13,17).
What are the key properties of 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide?
3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide has a molecular weight of 256.74 g/mol, XLogP of 1.01, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methylpyrazol-1-yl)-1-(methylamino)cyclopentane-1-carboxamide is sourced from PubChem (CID 79649186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).