N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine

C19H19N7 — CID 47614231

IUPACN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESCn1cc(CNCc2ccc(-n3cccn3)nc2)c(-c2ccncc2)n1
InChIInChI=1S/C19H19N7/c1-25-14-17(19(24-25)16-5-8-20-9-6-16)13-21-11-15-3-4-18(22-12-15)26-10-2-7-23-26/h2-10,12,14,21H,11,13H2,1H3
InChIKeyFXCCQVHIJAVVFH-UHFFFAOYSA-N
MW345.41 g/mol
LogP2.35
Rot. Bonds6

About N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine

N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine (PubChem CID 47614231) has the molecular formula C19H19N7 and a molecular weight of 345.41 g/mol. Its IUPAC name is N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine.

Molecular Properties

Compound NameN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
PubChem CID47614231
Molecular FormulaC19H19N7
Molecular Weight345.41 g/mol
Exact Mass345.17
IUPAC NameN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
SMILESCn1cc(CNCc2ccc(-n3cccn3)nc2)c(-c2ccncc2)n1
InChIInChI=1S/C19H19N7/c1-25-14-17(19(24-25)16-5-8-20-9-6-16)13-21-11-15-3-4-18(22-12-15)26-10-2-7-23-26/h2-10,12,14,21H,11,13H2,1H3
InChIKeyFXCCQVHIJAVVFH-UHFFFAOYSA-N
XLogP2.35
TPSA73.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.41
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine with MolForge

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Related Compounds

N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 86808153
1-(4-methylphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47610762
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 71913521
1-(3-methoxyphenyl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47611472
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47615231
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
N-(pyrazolo[1,5-a]pyrimidin-6-ylmethyl)-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 51104033
N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 86808570
1-(6-imidazol-1-yl-3-pyridinyl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 86808154
N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]pyrimidin-2-amine
CID 25480347
N-methyl-4-[[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]methyl]-N-propan-2-ylbenzamide
CID 47613149
(2R,3S)-3-(4-methylpyrazol-1-yl)-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]butan-2-amine
CID 95288395

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The IUPAC name of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine (CID 47614231) is N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine.
What is the SMILES notation for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The canonical SMILES for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine is Cn1cc(CNCc2ccc(-n3cccn3)nc2)c(-c2ccncc2)n1.
What is the InChIKey of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
The InChIKey is FXCCQVHIJAVVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7/c1-25-14-17(19(24-25)16-5-8-20-9-6-16)13-21-11-15-3-4-18(22-12-15)26-10-2-7-23-26/h2-10,12,14,21H,11,13H2,1H3.
What are the key properties of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine?
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine has a molecular weight of 345.41 g/mol, XLogP of 2.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine is sourced from PubChem (CID 47614231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).