N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride

C16H30ClN3O — CID 126966497

IUPACN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCc1nn(C2CCCC2)cc1CNCCCOC(C)C.Cl
InChIInChI=1S/C16H29N3O.ClH/c1-13(2)20-10-6-9-17-11-15-12-19(18-14(15)3)16-7-4-5-8-16;/h12-13,16-17H,4-11H2,1-3H3;1H
InChIKeyADIISGXNYJIAES-UHFFFAOYSA-N
MW315.89 g/mol
LogP3.63
Rot. Bonds8

About N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride

N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (PubChem CID 126966497) has the molecular formula C16H30ClN3O and a molecular weight of 315.89 g/mol. Its IUPAC name is N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
PubChem CID126966497
Molecular FormulaC16H30ClN3O
Molecular Weight315.89 g/mol
Exact Mass315.21
IUPAC NameN-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride
SMILESCc1nn(C2CCCC2)cc1CNCCCOC(C)C.Cl
InChIInChI=1S/C16H29N3O.ClH/c1-13(2)20-10-6-9-17-11-15-12-19(18-14(15)3)16-7-4-5-8-16;/h12-13,16-17H,4-11H2,1-3H3;1H
InChIKeyADIISGXNYJIAES-UHFFFAOYSA-N
XLogP3.63
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The IUPAC name of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride (CID 126966497) is N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The canonical SMILES for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is Cc1nn(C2CCCC2)cc1CNCCCOC(C)C.Cl.
What is the InChIKey of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
The InChIKey is ADIISGXNYJIAES-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.ClH/c1-13(2)20-10-6-9-17-11-15-12-19(18-14(15)3)16-7-4-5-8-16;/h12-13,16-17H,4-11H2,1-3H3;1H.
What are the key properties of N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride?
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 3.63, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-3-propan-2-yloxypropan-1-amine;hydrochloride is sourced from PubChem (CID 126966497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).