1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide

C15H22N4O — CID 80682385

IUPAC1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
SMILESCn1cc(CCNC(=O)C2(C#N)CCCCCC2)cn1
InChIInChI=1S/C15H22N4O/c1-19-11-13(10-18-19)6-9-17-14(20)15(12-16)7-4-2-3-5-8-15/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyTYXFQQTXAMTBSZ-UHFFFAOYSA-N
MW274.37 g/mol
LogP1.94
Rot. Bonds4

About 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide

1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide (PubChem CID 80682385) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
PubChem CID80682385
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC Name1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
SMILESCn1cc(CCNC(=O)C2(C#N)CCCCCC2)cn1
InChIInChI=1S/C15H22N4O/c1-19-11-13(10-18-19)6-9-17-14(20)15(12-16)7-4-2-3-5-8-15/h10-11H,2-9H2,1H3,(H,17,20)
InChIKeyTYXFQQTXAMTBSZ-UHFFFAOYSA-N
XLogP1.94
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
CID 78995061
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide
CID 80682990
1-amino-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclopentane-1-carboxamide;hydrochloride
CID 119292835
1-[2-(1-methylpyrazol-4-yl)ethylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 80689093
1-cyano-N-(2-pyridin-3-ylethyl)cyclobutane-1-carboxamide
CID 78995084
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302
1-[(1-benzylcyclobutyl)methyl]-3-[2-(1-methylpyrazol-4-yl)ethyl]urea
CID 71920840
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-propylpyrrolidine-2-carboxamide
CID 106975529
3-(methylamino)-N-[2-(1-methylpyrazol-4-yl)ethyl]propanamide
CID 80682637
1-cyano-N-[2-(cyclopenten-1-yl)ethyl]cyclohexane-1-carboxamide
CID 113330028
1-cyano-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]cyclohexane-1-carboxamide
CID 113253187

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide (CID 80682385) is 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide is Cn1cc(CCNC(=O)C2(C#N)CCCCCC2)cn1.
What is the InChIKey of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide?
The InChIKey is TYXFQQTXAMTBSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-19-11-13(10-18-19)6-9-17-14(20)15(12-16)7-4-2-3-5-8-15/h10-11H,2-9H2,1H3,(H,17,20).
What are the key properties of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide?
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide has a molecular weight of 274.37 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide is sourced from PubChem (CID 80682385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).