N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

C16H23ClN4O — CID 138003426

IUPACN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1nn(C)c(Cl)c1CN(C)C(=O)c1ccn(C(C)C)c1C
InChIInChI=1S/C16H23ClN4O/c1-10(2)21-8-7-13(12(21)4)16(22)19(5)9-14-11(3)18-20(6)15(14)17/h7-8,10H,9H2,1-6H3
InChIKeyZWYCQZNTBRKIAN-UHFFFAOYSA-N
MW322.84 g/mol
LogP3.34
Rot. Bonds4

About N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide

N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (PubChem CID 138003426) has the molecular formula C16H23ClN4O and a molecular weight of 322.84 g/mol. Its IUPAC name is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
PubChem CID138003426
Molecular FormulaC16H23ClN4O
Molecular Weight322.84 g/mol
Exact Mass322.16
IUPAC NameN-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide
SMILESCc1nn(C)c(Cl)c1CN(C)C(=O)c1ccn(C(C)C)c1C
InChIInChI=1S/C16H23ClN4O/c1-10(2)21-8-7-13(12(21)4)16(22)19(5)9-14-11(3)18-20(6)15(14)17/h7-8,10H,9H2,1-6H3
InChIKeyZWYCQZNTBRKIAN-UHFFFAOYSA-N
XLogP3.34
TPSA43.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.84
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The IUPAC name of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide (CID 138003426) is N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide.
What is the SMILES notation for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The canonical SMILES for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is Cc1nn(C)c(Cl)c1CN(C)C(=O)c1ccn(C(C)C)c1C.
What is the InChIKey of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
The InChIKey is ZWYCQZNTBRKIAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN4O/c1-10(2)21-8-7-13(12(21)4)16(22)19(5)9-14-11(3)18-20(6)15(14)17/h7-8,10H,9H2,1-6H3.
What are the key properties of N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide?
N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide has a molecular weight of 322.84 g/mol, XLogP of 3.34, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-N,2-dimethyl-1-propan-2-ylpyrrole-3-carboxamide is sourced from PubChem (CID 138003426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).