N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide

C18H20ClN5O — CID 166361838

IUPACN-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1NC(=O)c1ccc(CN(C)C)[nH]1
InChIInChI=1S/C18H20ClN5O/c1-12-10-24(16-7-5-4-6-14(16)19)22-17(12)21-18(25)15-9-8-13(20-15)11-23(2)3/h4-10,20H,11H2,1-3H3,(H,21,22,25)
InChIKeyPQAAROMOKWSZMP-UHFFFAOYSA-N
MW357.85 g/mol
LogP3.48
Rot. Bonds5

About N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide

N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide (PubChem CID 166361838) has the molecular formula C18H20ClN5O and a molecular weight of 357.85 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide
PubChem CID166361838
Molecular FormulaC18H20ClN5O
Molecular Weight357.85 g/mol
Exact Mass357.14
IUPAC NameN-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide
SMILESCc1cn(-c2ccccc2Cl)nc1NC(=O)c1ccc(CN(C)C)[nH]1
InChIInChI=1S/C18H20ClN5O/c1-12-10-24(16-7-5-4-6-14(16)19)22-17(12)21-18(25)15-9-8-13(20-15)11-23(2)3/h4-10,20H,11H2,1-3H3,(H,21,22,25)
InChIKeyPQAAROMOKWSZMP-UHFFFAOYSA-N
XLogP3.48
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.85
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide?
The IUPAC name of N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide (CID 166361838) is N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide is Cc1cn(-c2ccccc2Cl)nc1NC(=O)c1ccc(CN(C)C)[nH]1.
What is the InChIKey of N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide?
The InChIKey is PQAAROMOKWSZMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O/c1-12-10-24(16-7-5-4-6-14(16)19)22-17(12)21-18(25)15-9-8-13(20-15)11-23(2)3/h4-10,20H,11H2,1-3H3,(H,21,22,25).
What are the key properties of N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide?
N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide has a molecular weight of 357.85 g/mol, XLogP of 3.48, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)-4-methylpyrazol-3-yl]-5-[(dimethylamino)methyl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 166361838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).