4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide

C10H13ClN6O — CID 167850095

IUPAC4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide
SMILESCC(C)n1nnc(NC(=O)c2cc(Cl)cn2C)n1
InChIInChI=1S/C10H13ClN6O/c1-6(2)17-14-10(13-15-17)12-9(18)8-4-7(11)5-16(8)3/h4-6H,1-3H3,(H,12,14,18)
InChIKeyZIMIBQJTHLSMQU-UHFFFAOYSA-N
MW268.71 g/mol
LogP1.50
Rot. Bonds3

About 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide

4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide (PubChem CID 167850095) has the molecular formula C10H13ClN6O and a molecular weight of 268.71 g/mol. Its IUPAC name is 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide
PubChem CID167850095
Molecular FormulaC10H13ClN6O
Molecular Weight268.71 g/mol
Exact Mass268.08
IUPAC Name4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide
SMILESCC(C)n1nnc(NC(=O)c2cc(Cl)cn2C)n1
InChIInChI=1S/C10H13ClN6O/c1-6(2)17-14-10(13-15-17)12-9(18)8-4-7(11)5-16(8)3/h4-6H,1-3H3,(H,12,14,18)
InChIKeyZIMIBQJTHLSMQU-UHFFFAOYSA-N
XLogP1.50
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.71
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide (CID 167850095) is 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide is CC(C)n1nnc(NC(=O)c2cc(Cl)cn2C)n1.
What is the InChIKey of 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is ZIMIBQJTHLSMQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN6O/c1-6(2)17-14-10(13-15-17)12-9(18)8-4-7(11)5-16(8)3/h4-6H,1-3H3,(H,12,14,18).
What are the key properties of 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide?
4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 268.71 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-methyl-N-(2-propan-2-yltetrazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 167850095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).