4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

C13H22N4O2 — CID 66123246

IUPAC4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCC2(O)CCCCC2)c1N
InChIInChI=1S/C13H22N4O2/c1-9-10(14)11(17(2)16-9)12(18)15-8-13(19)6-4-3-5-7-13/h19H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyZTFXRKFNHJSFMB-UHFFFAOYSA-N
MW266.34 g/mol
LogP0.74
Rot. Bonds3

About 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66123246) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66123246
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NCC2(O)CCCCC2)c1N
InChIInChI=1S/C13H22N4O2/c1-9-10(14)11(17(2)16-9)12(18)15-8-13(19)6-4-3-5-7-13/h19H,3-8,14H2,1-2H3,(H,15,18)
InChIKeyZTFXRKFNHJSFMB-UHFFFAOYSA-N
XLogP0.74
TPSA93.17 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide (CID 66123246) is 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NCC2(O)CCCCC2)c1N.
What is the InChIKey of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is ZTFXRKFNHJSFMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-9-10(14)11(17(2)16-9)12(18)15-8-13(19)6-4-3-5-7-13/h19H,3-8,14H2,1-2H3,(H,15,18).
What are the key properties of 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 266.34 g/mol, XLogP of 0.74, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(1-hydroxycyclohexyl)methyl]-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66123246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).