4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide

C16H26N4O — CID 66125149

IUPAC4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CC2CCCCC2)C2CC2)c1N
InChIInChI=1S/C16H26N4O/c1-11-14(17)15(19(2)18-11)16(21)20(13-8-9-13)10-12-6-4-3-5-7-12/h12-13H,3-10,17H2,1-2H3
InChIKeyXCXZHCSDKNIFGE-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.50
Rot. Bonds4

About 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide

4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide (PubChem CID 66125149) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
PubChem CID66125149
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)N(CC2CCCCC2)C2CC2)c1N
InChIInChI=1S/C16H26N4O/c1-11-14(17)15(19(2)18-11)16(21)20(13-8-9-13)10-12-6-4-3-5-7-12/h12-13H,3-10,17H2,1-2H3
InChIKeyXCXZHCSDKNIFGE-UHFFFAOYSA-N
XLogP2.50
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide (CID 66125149) is 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide is Cc1nn(C)c(C(=O)N(CC2CCCCC2)C2CC2)c1N.
What is the InChIKey of 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide?
The InChIKey is XCXZHCSDKNIFGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11-14(17)15(19(2)18-11)16(21)20(13-8-9-13)10-12-6-4-3-5-7-12/h12-13H,3-10,17H2,1-2H3.
What are the key properties of 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide?
4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(cyclohexylmethyl)-N-cyclopropyl-1,3-dimethylpyrazole-5-carboxamide is sourced from PubChem (CID 66125149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).