4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide

C20H29N5O — CID 154652738

IUPAC4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide
SMILESCCCCNc1ccc(NC(=O)n2cc(N)c(C3CCCCC3)n2)cc1
InChIInChI=1S/C20H29N5O/c1-2-3-13-22-16-9-11-17(12-10-16)23-20(26)25-14-18(21)19(24-25)15-7-5-4-6-8-15/h9-12,14-15,22H,2-8,13,21H2,1H3,(H,23,26)
InChIKeyXUALTTDXCFWPHS-UHFFFAOYSA-N
MW355.49 g/mol
LogP4.81
Rot. Bonds6

About 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide

4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide (PubChem CID 154652738) has the molecular formula C20H29N5O and a molecular weight of 355.49 g/mol. Its IUPAC name is 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide.

Molecular Properties

Compound Name4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide
PubChem CID154652738
Molecular FormulaC20H29N5O
Molecular Weight355.49 g/mol
Exact Mass355.24
IUPAC Name4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide
SMILESCCCCNc1ccc(NC(=O)n2cc(N)c(C3CCCCC3)n2)cc1
InChIInChI=1S/C20H29N5O/c1-2-3-13-22-16-9-11-17(12-10-16)23-20(26)25-14-18(21)19(24-25)15-7-5-4-6-8-15/h9-12,14-15,22H,2-8,13,21H2,1H3,(H,23,26)
InChIKeyXUALTTDXCFWPHS-UHFFFAOYSA-N
XLogP4.81
TPSA84.97 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.49
LogP ≤ 54.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[5-(butylamino)-2-pyridinyl]cyclohexanecarboxamide
CID 113023958
3-cyclohexyl-1-ethylpyrazol-4-amine
CID 83217071
N-[5-(butylamino)-2-pyridinyl]cyclobutanecarboxamide
CID 113024024
N-cycloheptyl-5-(pentylamino)pyridine-2-carboxamide
CID 109195288
1-[4-(butylamino)phenyl]-3-methylurea
CID 43744434
N'-(4-cyclohexylphenyl)butane-1,4-diamine
CID 115200971
[4-(propylamino)phenyl]urea
CID 43745026
N-cyclooctyl-4-(propylamino)benzamide
CID 62172072
4-[3-[cyclohexyl(methyl)amino]propylamino]pyridine-2-carboxamide
CID 60980958
4-(butylamino)-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a]azepine-2-carboxylic acid
CID 165486929
butane;N-(4-cyclopentylphenyl)-N'-methyl-N'-phosphanylpropane-1,3-diamine;ethane;methanamine;N-methylmethanamine;N-methyl-N-phosphanylmethanamine
CID 144563986
N-cyclobutyl-4-(propylamino)benzamide
CID 55067083

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide?
The IUPAC name of 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide (CID 154652738) is 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide.
What is the SMILES notation for 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide?
The canonical SMILES for 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide is CCCCNc1ccc(NC(=O)n2cc(N)c(C3CCCCC3)n2)cc1.
What is the InChIKey of 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide?
The InChIKey is XUALTTDXCFWPHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N5O/c1-2-3-13-22-16-9-11-17(12-10-16)23-20(26)25-14-18(21)19(24-25)15-7-5-4-6-8-15/h9-12,14-15,22H,2-8,13,21H2,1H3,(H,23,26).
What are the key properties of 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide?
4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide has a molecular weight of 355.49 g/mol, XLogP of 4.81, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[4-(butylamino)phenyl]-3-cyclohexylpyrazole-1-carboxamide is sourced from PubChem (CID 154652738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).