3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

C15H23N5O2 — CID 119728671

IUPAC3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1
InChIInChI=1S/C15H23N5O2/c16-11-3-1-2-10(6-11)15(22)19-13-7-17-20(8-13)9-14(21)18-12-4-5-12/h7-8,10-12H,1-6,9,16H2,(H,18,21)(H,19,22)
InChIKeyNZRXEJFBFJXEJY-UHFFFAOYSA-N
MW305.38 g/mol
LogP0.62
Rot. Bonds5

About 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide

3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (PubChem CID 119728671) has the molecular formula C15H23N5O2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.

Molecular Properties

Compound Name3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
PubChem CID119728671
Molecular FormulaC15H23N5O2
Molecular Weight305.38 g/mol
Exact Mass305.19
IUPAC Name3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
SMILESNC1CCCC(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1
InChIInChI=1S/C15H23N5O2/c16-11-3-1-2-10(6-11)15(22)19-13-7-17-20(8-13)9-14(21)18-12-4-5-12/h7-8,10-12H,1-6,9,16H2,(H,18,21)(H,19,22)
InChIKeyNZRXEJFBFJXEJY-UHFFFAOYSA-N
XLogP0.62
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 50.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclopropane-1-carboxamide
CID 55035959
9-amino-N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988026
3-amino-N-[1-[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119800850
3-amino-N-[1-(oxolan-2-ylmethyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 63044481
2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetic acid
CID 61018747
9-amino-N-[1-(2-amino-2-oxoethyl)pyrazol-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120986139
2-[4-[(4-aminocyclohexanecarbonyl)amino]pyrazol-1-yl]acetic acid
CID 61285380
2-[4-(cyclopentylmethylamino)pyrazol-1-yl]-N-cyclopropylacetamide
CID 62069655
methyl 2-[4-(cyclobutanecarbonylamino)pyrazol-1-yl]acetate
CID 47291837
N-cyclopropyl-2-[4-(propan-2-ylamino)pyrazol-1-yl]acetamide
CID 60931819
2-(8-azabicyclo[3.2.1]octan-3-yl)-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 119728688
N-[1-[2-(cyclopentylamino)-2-oxoethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119309124

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The IUPAC name of 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide (CID 119728671) is 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide.
What is the SMILES notation for 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The canonical SMILES for 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is NC1CCCC(C(=O)Nc2cnn(CC(=O)NC3CC3)c2)C1.
What is the InChIKey of 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
The InChIKey is NZRXEJFBFJXEJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5O2/c16-11-3-1-2-10(6-11)15(22)19-13-7-17-20(8-13)9-14(21)18-12-4-5-12/h7-8,10-12H,1-6,9,16H2,(H,18,21)(H,19,22).
What are the key properties of 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide?
3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide has a molecular weight of 305.38 g/mol, XLogP of 0.62, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[2-(cyclopropylamino)-2-oxoethyl]pyrazol-4-yl]cyclohexane-1-carboxamide is sourced from PubChem (CID 119728671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).