N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide

C19H17Cl2N5O3 — CID 50907125

IUPACN-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CO)nn1-c1ncccc1Cl
InChIInChI=1S/C19H17Cl2N5O3/c1-10-6-11(20)7-13(18(28)22-2)16(10)24-19(29)15-8-12(9-27)25-26(15)17-14(21)4-3-5-23-17/h3-8,27H,9H2,1-2H3,(H,22,28)(H,24,29)
InChIKeyRXGVVZSYEKQXQU-UHFFFAOYSA-N
MW434.28 g/mol
LogP2.99
Rot. Bonds5

About N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide

N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide (PubChem CID 50907125) has the molecular formula C19H17Cl2N5O3 and a molecular weight of 434.28 g/mol. Its IUPAC name is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide
PubChem CID50907125
Molecular FormulaC19H17Cl2N5O3
Molecular Weight434.28 g/mol
Exact Mass433.07
IUPAC NameN-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide
SMILESCNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CO)nn1-c1ncccc1Cl
InChIInChI=1S/C19H17Cl2N5O3/c1-10-6-11(20)7-13(18(28)22-2)16(10)24-19(29)15-8-12(9-27)25-26(15)17-14(21)4-3-5-23-17/h3-8,27H,9H2,1-2H3,(H,22,28)(H,24,29)
InChIKeyRXGVVZSYEKQXQU-UHFFFAOYSA-N
XLogP2.99
TPSA109.14 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.28
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide?
The IUPAC name of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide (CID 50907125) is N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide is CNC(=O)c1cc(Cl)cc(C)c1NC(=O)c1cc(CO)nn1-c1ncccc1Cl.
What is the InChIKey of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide?
The InChIKey is RXGVVZSYEKQXQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N5O3/c1-10-6-11(20)7-13(18(28)22-2)16(10)24-19(29)15-8-12(9-27)25-26(15)17-14(21)4-3-5-23-17/h3-8,27H,9H2,1-2H3,(H,22,28)(H,24,29).
What are the key properties of N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide?
N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide has a molecular weight of 434.28 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-chloro-2-methyl-6-(methylcarbamoyl)phenyl]-1-(3-chloro-2-pyridinyl)-3-(hydroxymethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 50907125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).