N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane

C16H27N3 — CID 142876584

IUPACN-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane
SMILESC=C/C=C(\Nc1ccn[nH]1)C1CCCCC1.CCC
InChIInChI=1S/C13H19N3.C3H8/c1-2-6-12(11-7-4-3-5-8-11)15-13-9-10-14-16-13;1-3-2/h2,6,9-11H,1,3-5,7-8H2,(H2,14,15,16);3H2,1-2H3/b12-6-;
InChIKeyOBVHMMSGHCGSDS-DAMYXMBDSA-N
MW261.41 g/mol
LogP4.89
Rot. Bonds4

About N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane

N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane (PubChem CID 142876584) has the molecular formula C16H27N3 and a molecular weight of 261.41 g/mol. Its IUPAC name is N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane.

Molecular Properties

Compound NameN-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane
PubChem CID142876584
Molecular FormulaC16H27N3
Molecular Weight261.41 g/mol
Exact Mass261.22
IUPAC NameN-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane
SMILESC=C/C=C(\Nc1ccn[nH]1)C1CCCCC1.CCC
InChIInChI=1S/C13H19N3.C3H8/c1-2-6-12(11-7-4-3-5-8-11)15-13-9-10-14-16-13;1-3-2/h2,6,9-11H,1,3-5,7-8H2,(H2,14,15,16);3H2,1-2H3/b12-6-;
InChIKeyOBVHMMSGHCGSDS-DAMYXMBDSA-N
XLogP4.89
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.41
LogP ≤ 54.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(4-fluoro-1,5-dimethyl-2-propan-2-ylcyclohexa-2,4-dien-1-yl)-1H-pyrazol-5-amine
CID 175825076
Pyrazolyltetra-hydroindazole
CID 129815114
N-(1h-pyrazol-5-yl)-hexahydroquinoline-3-carbonitrile
CID 135393618
N-(2-cyclohexa-1,3-dien-1-ylethyl)-4-methyl-1H-pyrazol-5-amine
CID 71277750
N-(4-methylcyclohexyl)-1H-pyrazol-5-amine
CID 96227686
N-(cyclohexylmethyl)-1H-pyrazol-5-amine
CID 123419213
N-(4-methylhexan-3-yl)-1H-pyrazol-5-amine
CID 134353677
5-cyclohexyl-7-methylidene-4H-pyrazolo[1,5-a]pyrimidine
CID 136607764
N-(2-bicyclo[2.2.1]hept-5-enylmethyl)-1H-pyrazol-5-amine
CID 140621990
4-(4,7-dihydro-1H-pyrazolo[5,4-b]pyridin-6-yl)-N-methylcyclohexan-1-amine
CID 141082768
6-cyclopropyl-3-methyl-N-(1H-pyrazol-5-yl)-1,2-dihydropyridin-4-amine
CID 147423670
7-methylidene-5-pentan-3-yl-4H-pyrazolo[1,5-a]pyrimidine
CID 163907633

Frequently Asked Questions

What is the IUPAC name of N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane?
The IUPAC name of N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane (CID 142876584) is N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane.
What is the SMILES notation for N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane?
The canonical SMILES for N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane is C=C/C=C(\Nc1ccn[nH]1)C1CCCCC1.CCC.
What is the InChIKey of N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane?
The InChIKey is OBVHMMSGHCGSDS-DAMYXMBDSA-N. The full InChI is InChI=1S/C13H19N3.C3H8/c1-2-6-12(11-7-4-3-5-8-11)15-13-9-10-14-16-13;1-3-2/h2,6,9-11H,1,3-5,7-8H2,(H2,14,15,16);3H2,1-2H3/b12-6-;.
What are the key properties of N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane?
N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane has a molecular weight of 261.41 g/mol, XLogP of 4.89, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1Z)-1-cyclohexylbuta-1,3-dienyl]-1H-pyrazol-5-amine;propane is sourced from PubChem (CID 142876584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).