N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline

C20H20N6 — CID 71913521

IUPACN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
SMILESCn1cc(CNc2ccc(Cn3cccn3)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C20H20N6/c1-25-15-18(20(24-25)17-7-10-21-11-8-17)13-22-19-5-3-16(4-6-19)14-26-12-2-9-23-26/h2-12,15,22H,13-14H2,1H3
InChIKeyPJDQDCMTBTXMGK-UHFFFAOYSA-N
MW344.42 g/mol
LogP3.34
Rot. Bonds6

About N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline

N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline (PubChem CID 71913521) has the molecular formula C20H20N6 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline.

Molecular Properties

Compound NameN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
PubChem CID71913521
Molecular FormulaC20H20N6
Molecular Weight344.42 g/mol
Exact Mass344.17
IUPAC NameN-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
SMILESCn1cc(CNc2ccc(Cn3cccn3)cc2)c(-c2ccncc2)n1
InChIInChI=1S/C20H20N6/c1-25-15-18(20(24-25)17-7-10-21-11-8-17)13-22-19-5-3-16(4-6-19)14-26-12-2-9-23-26/h2-12,15,22H,13-14H2,1H3
InChIKeyPJDQDCMTBTXMGK-UHFFFAOYSA-N
XLogP3.34
TPSA60.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-chlorophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942759
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-1-(6-pyrazol-1-yl-3-pyridinyl)methanamine
CID 47614231
trans-(1R,2R)-2-[4-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methylamino]phenyl]cyclopropane-1-carboxylic acid
CID 166253534
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]propan-1-amine
CID 78971667
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]-1H-indazol-5-amine
CID 75386369
N-[(4-bromophenyl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60942760
1-[3-(imidazol-1-ylmethyl)phenyl]-N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]methanamine
CID 47615231
4-(pyrazol-1-ylmethyl)-N-(1,3-thiazol-4-ylmethyl)aniline
CID 61171807
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(trifluoromethyl)pyridin-2-amine
CID 99835543
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline
CID 60937882
1-[3-(4-ethylphenyl)-1-methylpyrazol-4-yl]-N-methylmethanamine
CID 39096752

Frequently Asked Questions

What is the IUPAC name of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The IUPAC name of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline (CID 71913521) is N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline.
What is the SMILES notation for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The canonical SMILES for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline is Cn1cc(CNc2ccc(Cn3cccn3)cc2)c(-c2ccncc2)n1.
What is the InChIKey of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
The InChIKey is PJDQDCMTBTXMGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6/c1-25-15-18(20(24-25)17-7-10-21-11-8-17)13-22-19-5-3-16(4-6-19)14-26-12-2-9-23-26/h2-12,15,22H,13-14H2,1H3.
What are the key properties of N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline?
N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline has a molecular weight of 344.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methyl-3-pyridin-4-ylpyrazol-4-yl)methyl]-4-(pyrazol-1-ylmethyl)aniline is sourced from PubChem (CID 71913521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).