2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine

C17H22N6 — CID 47619081

IUPAC2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(CNCc1cn(C)nc1-c1cccnc1)Cn1cccn1
InChIInChI=1S/C17H22N6/c1-14(12-23-8-4-7-20-23)9-19-11-16-13-22(2)21-17(16)15-5-3-6-18-10-15/h3-8,10,13-14,19H,9,11-12H2,1-2H3
InChIKeyNKVZTFFDXXEEJO-UHFFFAOYSA-N
MW310.40 g/mol
LogP2.10
Rot. Bonds7

About 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine

2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine (PubChem CID 47619081) has the molecular formula C17H22N6 and a molecular weight of 310.40 g/mol. Its IUPAC name is 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
PubChem CID47619081
Molecular FormulaC17H22N6
Molecular Weight310.40 g/mol
Exact Mass310.19
IUPAC Name2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine
SMILESCC(CNCc1cn(C)nc1-c1cccnc1)Cn1cccn1
InChIInChI=1S/C17H22N6/c1-14(12-23-8-4-7-20-23)9-19-11-16-13-22(2)21-17(16)15-5-3-6-18-10-15/h3-8,10,13-14,19H,9,11-12H2,1-2H3
InChIKeyNKVZTFFDXXEEJO-UHFFFAOYSA-N
XLogP2.10
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine with MolForge

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Related Compounds

(2R)-2-methyl-3-pyrazol-1-yl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]propan-1-amine
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N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-2-amine
CID 78971710
2-methyl-1-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]propan-2-ol
CID 119128606
2-methyl-3-(2-methylimidazol-1-yl)-N-[(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)methyl]propan-1-amine
CID 119122477
1-(2-methoxyphenyl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]methanamine
CID 47610180
N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine;hydrochloride
CID 47612776
2-(5-methylfuran-2-yl)-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 119107124
1-(1-methyl-3-pyridin-3-ylpyrazol-4-yl)-N-[(1-piperidin-1-ylcyclohexyl)methyl]methanamine
CID 47611144
2-[[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]methyl]cyclopentan-1-ol
CID 111469301
3-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methylamino]-4-methylsulfanylbutan-1-ol
CID 111449599
1-(1-ethyl-3-pyridin-3-ylpyrazol-4-yl)-N-methylmethanamine
CID 121213633
N-[[3-(3-chlorophenyl)-1-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 79492888

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The IUPAC name of 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine (CID 47619081) is 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine.
What is the SMILES notation for 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The canonical SMILES for 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine is CC(CNCc1cn(C)nc1-c1cccnc1)Cn1cccn1.
What is the InChIKey of 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
The InChIKey is NKVZTFFDXXEEJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N6/c1-14(12-23-8-4-7-20-23)9-19-11-16-13-22(2)21-17(16)15-5-3-6-18-10-15/h3-8,10,13-14,19H,9,11-12H2,1-2H3.
What are the key properties of 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine?
2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine has a molecular weight of 310.40 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1-methyl-3-pyridin-3-ylpyrazol-4-yl)methyl]-3-pyrazol-1-ylpropan-1-amine is sourced from PubChem (CID 47619081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).