N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine

C11H17N5 — CID 115608318

IUPACN-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCn1ccnc1CNCCCn1cccn1
InChIInChI=1S/C11H17N5/c1-15-9-6-13-11(15)10-12-4-2-7-16-8-3-5-14-16/h3,5-6,8-9,12H,2,4,7,10H2,1H3
InChIKeyBASBSDICDLPSRE-UHFFFAOYSA-N
MW219.29 g/mol
LogP0.80
Rot. Bonds6

About N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine

N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 115608318) has the molecular formula C11H17N5 and a molecular weight of 219.29 g/mol. Its IUPAC name is N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound NameN-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID115608318
Molecular FormulaC11H17N5
Molecular Weight219.29 g/mol
Exact Mass219.15
IUPAC NameN-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCn1ccnc1CNCCCn1cccn1
InChIInChI=1S/C11H17N5/c1-15-9-6-13-11(15)10-12-4-2-7-16-8-3-5-14-16/h3,5-6,8-9,12H,2,4,7,10H2,1H3
InChIKeyBASBSDICDLPSRE-UHFFFAOYSA-N
XLogP0.80
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methylimidazol-2-yl)methylamino]ethanol;dihydrochloride
CID 47000713
N-[(1-methylimidazol-2-yl)methyl]-2-methylsulfonylethanamine
CID 60919035
3-ethenoxy-N-[(1-methylimidazol-2-yl)methyl]propan-1-amine
CID 60688989
N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115682264
N-[(4-methyl-1,2,4-triazol-3-yl)methyl]-2-pyrazol-1-ylethanamine
CID 62118264
N-[(1-methylimidazol-2-yl)methyl]-2-propan-2-yloxyethanamine
CID 63295550
2-methyl-4-[(1-methylimidazol-2-yl)methylamino]butan-2-ol
CID 79354937
N-[(2-tert-butyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115593187
3,3-dimethyl-N-(3-pyrazol-1-ylpropyl)butan-1-amine
CID 115612293
3-(1-methylimidazol-2-yl)-N-propylpropan-1-amine
CID 64503736
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
CID 86808903
3-pyrazol-1-yl-N-[(2,3,6-trichlorophenyl)methyl]propan-1-amine
CID 112686473

Frequently Asked Questions

What is the IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine (CID 115608318) is N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine is Cn1ccnc1CNCCCn1cccn1.
What is the InChIKey of N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is BASBSDICDLPSRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5/c1-15-9-6-13-11(15)10-12-4-2-7-16-8-3-5-14-16/h3,5-6,8-9,12H,2,4,7,10H2,1H3.
What are the key properties of N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 219.29 g/mol, XLogP of 0.80, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 115608318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).