4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide

C9H10ClN7O — CID 154786288

IUPAC4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2nnnn2C2CC2)n1
InChIInChI=1S/C9H10ClN7O/c1-16-4-6(10)7(13-16)8(18)11-9-12-14-15-17(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12,15,18)
InChIKeyUTQGBLYXBNZJIQ-UHFFFAOYSA-N
MW267.68 g/mol
LogP0.65
Rot. Bonds3

About 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide

4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide (PubChem CID 154786288) has the molecular formula C9H10ClN7O and a molecular weight of 267.68 g/mol. Its IUPAC name is 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide
PubChem CID154786288
Molecular FormulaC9H10ClN7O
Molecular Weight267.68 g/mol
Exact Mass267.06
IUPAC Name4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide
SMILESCn1cc(Cl)c(C(=O)Nc2nnnn2C2CC2)n1
InChIInChI=1S/C9H10ClN7O/c1-16-4-6(10)7(13-16)8(18)11-9-12-14-15-17(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12,15,18)
InChIKeyUTQGBLYXBNZJIQ-UHFFFAOYSA-N
XLogP0.65
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.68
LogP ≤ 50.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide (CID 154786288) is 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide is Cn1cc(Cl)c(C(=O)Nc2nnnn2C2CC2)n1.
What is the InChIKey of 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide?
The InChIKey is UTQGBLYXBNZJIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClN7O/c1-16-4-6(10)7(13-16)8(18)11-9-12-14-15-17(9)5-2-3-5/h4-5H,2-3H2,1H3,(H,11,12,15,18).
What are the key properties of 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide?
4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide has a molecular weight of 267.68 g/mol, XLogP of 0.65, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(1-cyclopropyltetrazol-5-yl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 154786288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).