N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine

C16H29N3 — CID 122166428

IUPACN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine
SMILESCCCCCCNCc1cc(C2CC2)nn1C(C)C
InChIInChI=1S/C16H29N3/c1-4-5-6-7-10-17-12-15-11-16(14-8-9-14)18-19(15)13(2)3/h11,13-14,17H,4-10,12H2,1-3H3
InChIKeyZCCFMMKESVJLON-UHFFFAOYSA-N
MW263.43 g/mol
LogP4.01
Rot. Bonds9

About N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine

N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine (PubChem CID 122166428) has the molecular formula C16H29N3 and a molecular weight of 263.43 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine
PubChem CID122166428
Molecular FormulaC16H29N3
Molecular Weight263.43 g/mol
Exact Mass263.24
IUPAC NameN-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine
SMILESCCCCCCNCc1cc(C2CC2)nn1C(C)C
InChIInChI=1S/C16H29N3/c1-4-5-6-7-10-17-12-15-11-16(14-8-9-14)18-19(15)13(2)3/h11,13-14,17H,4-10,12H2,1-3H3
InChIKeyZCCFMMKESVJLON-UHFFFAOYSA-N
XLogP4.01
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.43
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]propan-1-amine
CID 122166419
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-methoxypropan-1-amine
CID 122166425
2-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methylamino]ethanol;hydrochloride
CID 126966695
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-3-morpholin-4-ylpropan-1-amine;dihydrochloride
CID 126967056
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]-1-ethyl-5-methylpyrazol-4-amine
CID 122167995
3-cyclopropyl-5-methyl-1-propan-2-ylpyrazole
CID 122521943
N-[(2-propan-2-ylpyrazol-3-yl)methyl]butan-1-amine;hydrochloride
CID 126967489
N-[(1-cyclohexylpyrazol-3-yl)methyl]hexan-1-amine
CID 64799565
N-[(3-methyltriazol-4-yl)methyl]decan-1-amine
CID 115690037
N-[(3-ethylimidazol-4-yl)methyl]pentan-1-amine
CID 66118440
N-[1-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propan-2-yl]decan-1-amine
CID 157474453
N-[(1-propan-2-ylpyrazol-4-yl)methyl]heptan-1-amine;hydrochloride
CID 126967235

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine?
The IUPAC name of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine (CID 122166428) is N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine.
What is the SMILES notation for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine?
The canonical SMILES for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine is CCCCCCNCc1cc(C2CC2)nn1C(C)C.
What is the InChIKey of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine?
The InChIKey is ZCCFMMKESVJLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3/c1-4-5-6-7-10-17-12-15-11-16(14-8-9-14)18-19(15)13(2)3/h11,13-14,17H,4-10,12H2,1-3H3.
What are the key properties of N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine?
N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine has a molecular weight of 263.43 g/mol, XLogP of 4.01, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1-propan-2-ylpyrazol-5-yl)methyl]hexan-1-amine is sourced from PubChem (CID 122166428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).