N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine

C19H23N5S — CID 77095832

IUPACN-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESCN(Cc1cnc(N2CCCC2)s1)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H23N5S/c1-23(14-17-12-20-19(25-17)24-9-5-6-10-24)13-16-11-21-22-18(16)15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,21,22)
InChIKeyZQCDGORVBJHBNE-UHFFFAOYSA-N
MW353.50 g/mol
LogP3.77
Rot. Bonds6

About N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine

N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine (PubChem CID 77095832) has the molecular formula C19H23N5S and a molecular weight of 353.50 g/mol. Its IUPAC name is N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine.

Molecular Properties

Compound NameN-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine
PubChem CID77095832
Molecular FormulaC19H23N5S
Molecular Weight353.50 g/mol
Exact Mass353.17
IUPAC NameN-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine
SMILESCN(Cc1cnc(N2CCCC2)s1)Cc1cn[nH]c1-c1ccccc1
InChIInChI=1S/C19H23N5S/c1-23(14-17-12-20-19(25-17)24-9-5-6-10-24)13-16-11-21-22-18(16)15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,21,22)
InChIKeyZQCDGORVBJHBNE-UHFFFAOYSA-N
XLogP3.77
TPSA48.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.50
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-ethylpyrimidin-5-yl)-N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 77098082
N-ethyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
CID 167773541
1-(2,3-dihydro-1-benzofuran-2-yl)-N-methyl-N-[(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 77091114
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42196661
N-methyl-N-[(1-methylimidazol-2-yl)methyl]-1-[5-(4-phenylphenyl)-1H-pyrazol-4-yl]methanamine
CID 42197416
N-ethyl-N-[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]sulfamoyl]ethanamine
CID 131892694
N-methyl-1-[1-[(5-methylfuran-2-yl)methyl]piperidin-4-yl]-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]methanamine
CID 26410385
2-[[methyl-[(5-phenyl-1H-pyrazol-4-yl)methyl]amino]methyl]quinolin-8-ol
CID 56709649
N-methyl-1-(5-methylfuran-2-yl)-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 50952529
2-[[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methyl-methylamino]methyl]pyridine-3-carboxylic acid
CID 50963732
4-[[methyl-[(2-pyrazol-1-yl-1,3-thiazol-5-yl)methyl]amino]methyl]-1-phenylpyrazole-3-carboxylic acid
CID 167861804
1-[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]-N-methyl-N-[(2-morpholin-4-yl-1,3-thiazol-5-yl)methyl]methanamine
CID 99819546

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine?
The IUPAC name of N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine (CID 77095832) is N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine.
What is the SMILES notation for N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine?
The canonical SMILES for N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine is CN(Cc1cnc(N2CCCC2)s1)Cc1cn[nH]c1-c1ccccc1.
What is the InChIKey of N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine?
The InChIKey is ZQCDGORVBJHBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5S/c1-23(14-17-12-20-19(25-17)24-9-5-6-10-24)13-16-11-21-22-18(16)15-7-3-2-4-8-15/h2-4,7-8,11-12H,5-6,9-10,13-14H2,1H3,(H,21,22).
What are the key properties of N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine?
N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine has a molecular weight of 353.50 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-(2-pyrrolidin-1-yl-1,3-thiazol-5-yl)methanamine is sourced from PubChem (CID 77095832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).