3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide

C14H25N5O — CID 64524298

IUPAC3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
SMILESCN(CCCNC(=O)c1cc(N)n[nH]1)C1CCCCC1
InChIInChI=1S/C14H25N5O/c1-19(11-6-3-2-4-7-11)9-5-8-16-14(20)12-10-13(15)18-17-12/h10-11H,2-9H2,1H3,(H,16,20)(H3,15,17,18)
InChIKeyUMRFTCPRDHODEH-UHFFFAOYSA-N
MW279.39 g/mol
LogP1.38
Rot. Bonds6

About 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide

3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide (PubChem CID 64524298) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
PubChem CID64524298
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide
SMILESCN(CCCNC(=O)c1cc(N)n[nH]1)C1CCCCC1
InChIInChI=1S/C14H25N5O/c1-19(11-6-3-2-4-7-11)9-5-8-16-14(20)12-10-13(15)18-17-12/h10-11H,2-9H2,1H3,(H,16,20)(H3,15,17,18)
InChIKeyUMRFTCPRDHODEH-UHFFFAOYSA-N
XLogP1.38
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 51.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[3-(diethylamino)propyl]-1H-pyrazole-5-carboxamide
CID 64524402
3-amino-N-(2-cyclopentylethyl)-1H-pyrazole-5-carboxamide
CID 64523051
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide
CID 60981646
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]benzamide;dihydrochloride
CID 119851139
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 62788783
3-amino-N-pentyl-1H-pyrazole-5-carboxamide
CID 64525391
3-amino-N-(4-hydroxybutyl)-1H-pyrazole-5-carboxamide
CID 106840125
4-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]-5-propan-2-yl-1H-pyrazole-3-carboxamide
CID 56564397
N-[3-[cyclohexyl(methyl)amino]propyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103763751
3-amino-N-(5-amino-5-oxopentyl)-1H-pyrazole-5-carboxamide
CID 106233227
2-amino-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 54880376
2-bromo-N-[3-[cyclohexyl(methyl)amino]propyl]propanamide
CID 107904686

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide (CID 64524298) is 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide is CN(CCCNC(=O)c1cc(N)n[nH]1)C1CCCCC1.
What is the InChIKey of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide?
The InChIKey is UMRFTCPRDHODEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-19(11-6-3-2-4-7-11)9-5-8-16-14(20)12-10-13(15)18-17-12/h10-11H,2-9H2,1H3,(H,16,20)(H3,15,17,18).
What are the key properties of 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide?
3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide has a molecular weight of 279.39 g/mol, XLogP of 1.38, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[3-[cyclohexyl(methyl)amino]propyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 64524298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).