N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine

C17H19N5 — CID 131920376

IUPACN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
SMILESCc1ccccc1-n1cc(CN(C)Cc2cncnc2)cn1
InChIInChI=1S/C17H19N5/c1-14-5-3-4-6-17(14)22-12-16(9-20-22)11-21(2)10-15-7-18-13-19-8-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCZERAFFGMKFDLW-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.60
Rot. Bonds5

About N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine

N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine (PubChem CID 131920376) has the molecular formula C17H19N5 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine.

Molecular Properties

Compound NameN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
PubChem CID131920376
Molecular FormulaC17H19N5
Molecular Weight293.37 g/mol
Exact Mass293.16
IUPAC NameN-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine
SMILESCc1ccccc1-n1cc(CN(C)Cc2cncnc2)cn1
InChIInChI=1S/C17H19N5/c1-14-5-3-4-6-17(14)22-12-16(9-20-22)11-21(2)10-15-7-18-13-19-8-15/h3-9,12-13H,10-11H2,1-2H3
InChIKeyCZERAFFGMKFDLW-UHFFFAOYSA-N
XLogP2.60
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1,4-dithiepan-6-amine
CID 131951782
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-[4-(pyrrolidin-1-ylmethyl)thiophen-2-yl]methanamine
CID 131939626
2-[1-(2-methylphenyl)pyrazol-4-yl]ethanamine
CID 82282392
1-[(1S,9aR)-2,3,4,6,7,8,9,9a-octahydro-1H-quinolizin-1-yl]-N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]methanamine
CID 46987532
N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]propan-2-amine
CID 61271515
5-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-1-propan-2-ylpiperidin-2-one
CID 138377763
4-methyl-1-(2-methylphenyl)pyrazole
CID 12902538
3-[[methyl-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]amino]methyl]-2-oxa-8-azaspiro[4.5]decan-1-one;dihydrochloride
CID 172910865
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]oxolane-3-carboxamide
CID 56759420
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-2-propyl-1,3-thiazole-4-carboxamide
CID 72861011
1-(4-methoxy-3-methylphenyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]methanamine
CID 60589279
3-[[1-(methoxymethyl)cyclopentyl]methyl]-1-methyl-1-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]urea
CID 122566068

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine?
The IUPAC name of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine (CID 131920376) is N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine.
What is the SMILES notation for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine?
The canonical SMILES for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine is Cc1ccccc1-n1cc(CN(C)Cc2cncnc2)cn1.
What is the InChIKey of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine?
The InChIKey is CZERAFFGMKFDLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5/c1-14-5-3-4-6-17(14)22-12-16(9-20-22)11-21(2)10-15-7-18-13-19-8-15/h3-9,12-13H,10-11H2,1-2H3.
What are the key properties of N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine?
N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine has a molecular weight of 293.37 g/mol, XLogP of 2.60, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[[1-(2-methylphenyl)pyrazol-4-yl]methyl]-1-pyrimidin-5-ylmethanamine is sourced from PubChem (CID 131920376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).