N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride

C11H18ClN5 — CID 86808903

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
SMILESCc1[nH]ncc1CNCCCn1cccn1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-10-11(9-13-15-10)8-12-4-2-6-16-7-3-5-14-16;/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,13,15);1H
InChIKeyPBSIHRTWZQBIES-UHFFFAOYSA-N
MW255.75 g/mol
LogP1.52
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride (PubChem CID 86808903) has the molecular formula C11H18ClN5 and a molecular weight of 255.75 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
PubChem CID86808903
Molecular FormulaC11H18ClN5
Molecular Weight255.75 g/mol
Exact Mass255.13
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride
SMILESCc1[nH]ncc1CNCCCn1cccn1.Cl
InChIInChI=1S/C11H17N5.ClH/c1-10-11(9-13-15-10)8-12-4-2-6-16-7-3-5-14-16;/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,13,15);1H
InChIKeyPBSIHRTWZQBIES-UHFFFAOYSA-N
XLogP1.52
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(5-methyl-1H-pyrazol-4-yl)methyl]heptan-1-amine
CID 61004281
N-[(3-methyltriazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115682264
N-[(1-methylimidazol-2-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115608318
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-5-methylsulfanylpentan-1-amine
CID 104923072
5,5,5-trifluoro-N-[(5-methyl-1H-pyrazol-4-yl)methyl]pentan-1-amine
CID 115491490
N-(isoquinolin-4-ylmethyl)-3-pyrazol-1-ylpropan-1-amine
CID 115748244
N-[(1-methylimidazol-2-yl)methyl]-1-(5-methyl-1H-pyrazol-4-yl)methanamine
CID 62350133
1-[3-[(5-methyl-1H-pyrazol-4-yl)methylamino]propyl]azepan-2-one
CID 86808383
N-[(2-methylimidazo[1,2-a]pyridin-3-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
CID 115674375
3-cyclopentyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 103622795
3-ethenoxy-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propan-1-amine
CID 43663684
N-[(2-ethylpyrazol-3-yl)methyl]-3-(5-methyl-1H-pyrazol-4-yl)propan-1-amine
CID 113334821

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride (CID 86808903) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride is Cc1[nH]ncc1CNCCCn1cccn1.Cl.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride?
The InChIKey is PBSIHRTWZQBIES-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5.ClH/c1-10-11(9-13-15-10)8-12-4-2-6-16-7-3-5-14-16;/h3,5,7,9,12H,2,4,6,8H2,1H3,(H,13,15);1H.
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.52, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine;hydrochloride is sourced from PubChem (CID 86808903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).