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

C12H16N4O — CID 78995061

IUPAC1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCn1cc(CCNC(=O)C2(C#N)CCC2)cn1
InChIInChI=1S/C12H16N4O/c1-16-8-10(7-15-16)3-6-14-11(17)12(9-13)4-2-5-12/h7-8H,2-6H2,1H3,(H,14,17)
InChIKeyYTPSIELOMITZJA-UHFFFAOYSA-N
MW232.29 g/mol
LogP0.77
Rot. Bonds4

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

1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide (PubChem CID 78995061) has the molecular formula C12H16N4O and a molecular weight of 232.29 g/mol. Its IUPAC name is 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
PubChem CID78995061
Molecular FormulaC12H16N4O
Molecular Weight232.29 g/mol
Exact Mass232.13
IUPAC Name1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide
SMILESCn1cc(CCNC(=O)C2(C#N)CCC2)cn1
InChIInChI=1S/C12H16N4O/c1-16-8-10(7-15-16)3-6-14-11(17)12(9-13)4-2-5-12/h7-8H,2-6H2,1H3,(H,14,17)
InChIKeyYTPSIELOMITZJA-UHFFFAOYSA-N
XLogP0.77
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.29
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cycloheptane-1-carboxamide
CID 80682385
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
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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
4-hydroxy-N-[2-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 80686901
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(2,2,2-trifluoroethylamino)acetamide
CID 78924536
1-cyano-N-[2-(3,4-dimethoxyphenyl)ethyl]cyclopentane-1-carboxamide
CID 51246302
N-[2-(1-methylpyrazol-4-yl)ethyl]-2-(4-sulfanylphenyl)acetamide
CID 107032863

Frequently Asked Questions

What is the IUPAC name of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The IUPAC name of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide (CID 78995061) is 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide.
What is the SMILES notation for 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The canonical SMILES for 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide is Cn1cc(CCNC(=O)C2(C#N)CCC2)cn1.
What is the InChIKey of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
The InChIKey is YTPSIELOMITZJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O/c1-16-8-10(7-15-16)3-6-14-11(17)12(9-13)4-2-5-12/h7-8H,2-6H2,1H3,(H,14,17).
What are the key properties of 1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide?
1-cyano-N-[2-(1-methylpyrazol-4-yl)ethyl]cyclobutane-1-carboxamide has a molecular weight of 232.29 g/mol, XLogP of 0.77, 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]cyclobutane-1-carboxamide is sourced from PubChem (CID 78995061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).