N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole

C19H23N5OS — CID 162299435

IUPACN-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole
SMILESCc1cn[nH]c1NC(=O)c1ccc(CN2CCCC2)cc1.c1cscn1
InChIInChI=1S/C16H20N4O.C3H3NS/c1-12-10-17-19-15(12)18-16(21)14-6-4-13(5-7-14)11-20-8-2-3-9-20;1-2-5-3-4-1/h4-7,10H,2-3,8-9,11H2,1H3,(H2,17,18,19,21);1-3H
InChIKeyIBOVZOLQIYGHNC-UHFFFAOYSA-N
MW369.49 g/mol
LogP3.71
Rot. Bonds4

About N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole

N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole (PubChem CID 162299435) has the molecular formula C19H23N5OS and a molecular weight of 369.49 g/mol. Its IUPAC name is N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole.

Molecular Properties

Compound NameN-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole
PubChem CID162299435
Molecular FormulaC19H23N5OS
Molecular Weight369.49 g/mol
Exact Mass369.16
IUPAC NameN-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole
SMILESCc1cn[nH]c1NC(=O)c1ccc(CN2CCCC2)cc1.c1cscn1
InChIInChI=1S/C16H20N4O.C3H3NS/c1-12-10-17-19-15(12)18-16(21)14-6-4-13(5-7-14)11-20-8-2-3-9-20;1-2-5-3-4-1/h4-7,10H,2-3,8-9,11H2,1H3,(H2,17,18,19,21);1-3H
InChIKeyIBOVZOLQIYGHNC-UHFFFAOYSA-N
XLogP3.71
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.49
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole?
The IUPAC name of N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole (CID 162299435) is N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole.
What is the SMILES notation for N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole?
The canonical SMILES for N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole is Cc1cn[nH]c1NC(=O)c1ccc(CN2CCCC2)cc1.c1cscn1.
What is the InChIKey of N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole?
The InChIKey is IBOVZOLQIYGHNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O.C3H3NS/c1-12-10-17-19-15(12)18-16(21)14-6-4-13(5-7-14)11-20-8-2-3-9-20;1-2-5-3-4-1/h4-7,10H,2-3,8-9,11H2,1H3,(H2,17,18,19,21);1-3H.
What are the key properties of N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole?
N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole has a molecular weight of 369.49 g/mol, XLogP of 3.71, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1H-pyrazol-5-yl)-4-(pyrrolidin-1-ylmethyl)benzamide;1,3-thiazole is sourced from PubChem (CID 162299435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).