2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide

C12H21N5O — CID 79730983

IUPAC2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2CCC(N)CC2)cn1
InChIInChI=1S/C12H21N5O/c1-14-12(18)8-17-7-11(6-15-17)16-10-4-2-9(13)3-5-10/h6-7,9-10,16H,2-5,8,13H2,1H3,(H,14,18)
InChIKeyZLANLIXIGKSLQY-UHFFFAOYSA-N
MW251.33 g/mol
LogP0.31
Rot. Bonds4

About 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide

2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide (PubChem CID 79730983) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide.

Molecular Properties

Compound Name2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
PubChem CID79730983
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
SMILESCNC(=O)Cn1cc(NC2CCC(N)CC2)cn1
InChIInChI=1S/C12H21N5O/c1-14-12(18)8-17-7-11(6-15-17)16-10-4-2-9(13)3-5-10/h6-7,9-10,16H,2-5,8,13H2,1H3,(H,14,18)
InChIKeyZLANLIXIGKSLQY-UHFFFAOYSA-N
XLogP0.31
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 50.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-methyl-2-[4-(thian-4-ylamino)pyrazol-1-yl]acetamide
CID 54866384
2-[4-(1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-ylamino)pyrazol-1-yl]-N-methylacetamide
CID 60932315
2-[4-[(2,6-dimethylcyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 54866416
N-methyl-2-[4-[[3-(trifluoromethyl)cyclohexyl]amino]pyrazol-1-yl]acetamide
CID 64756991
2-[4-(cycloheptylamino)pyrazol-1-yl]acetamide
CID 43695123
2-[4-[(1-acetylpiperidin-4-yl)amino]pyrazol-1-yl]acetamide
CID 43783533
2-amino-1-methyl-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 82765623
2-amino-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 60946190
2-[4-[(2-ethyl-2-methylcyclopentyl)amino]pyrazol-1-yl]-N-methylacetamide
CID 131962116
2-(azetidin-3-yl)-N-[1-[2-(methylamino)-2-oxoethyl]pyrazol-4-yl]acetamide
CID 64609936
2-[4-[(4-cyclopropylphenyl)methylamino]pyrazol-1-yl]-N-methylacetamide
CID 79968644
N-methyl-2-[4-(pyrrolidin-2-ylmethylamino)pyrazol-1-yl]acetamide
CID 106637998

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide?
The IUPAC name of 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide (CID 79730983) is 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide.
What is the SMILES notation for 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide?
The canonical SMILES for 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide is CNC(=O)Cn1cc(NC2CCC(N)CC2)cn1.
What is the InChIKey of 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide?
The InChIKey is ZLANLIXIGKSLQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-14-12(18)8-17-7-11(6-15-17)16-10-4-2-9(13)3-5-10/h6-7,9-10,16H,2-5,8,13H2,1H3,(H,14,18).
What are the key properties of 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide?
2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide has a molecular weight of 251.33 g/mol, XLogP of 0.31, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-aminocyclohexyl)amino]pyrazol-1-yl]-N-methylacetamide is sourced from PubChem (CID 79730983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).