4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide

C11H14ClN3O2S — CID 106150787

IUPAC4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H14ClN3O2S/c1-3-6-15(8-9-4-5-9)18(16,17)11-10(12)7-13-14(11)2/h1,7,9H,4-6,8H2,2H3
InChIKeyPWMGVPGQMXJNAG-UHFFFAOYSA-N
MW287.77 g/mol
LogP1.11
Rot. Bonds5

About 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide

4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide (PubChem CID 106150787) has the molecular formula C11H14ClN3O2S and a molecular weight of 287.77 g/mol. Its IUPAC name is 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide
PubChem CID106150787
Molecular FormulaC11H14ClN3O2S
Molecular Weight287.77 g/mol
Exact Mass287.05
IUPAC Name4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide
SMILESC#CCN(CC1CC1)S(=O)(=O)c1c(Cl)cnn1C
InChIInChI=1S/C11H14ClN3O2S/c1-3-6-15(8-9-4-5-9)18(16,17)11-10(12)7-13-14(11)2/h1,7,9H,4-6,8H2,2H3
InChIKeyPWMGVPGQMXJNAG-UHFFFAOYSA-N
XLogP1.11
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.77
LogP ≤ 51.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide?
The IUPAC name of 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide (CID 106150787) is 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide.
What is the SMILES notation for 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide?
The canonical SMILES for 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide is C#CCN(CC1CC1)S(=O)(=O)c1c(Cl)cnn1C.
What is the InChIKey of 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide?
The InChIKey is PWMGVPGQMXJNAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN3O2S/c1-3-6-15(8-9-4-5-9)18(16,17)11-10(12)7-13-14(11)2/h1,7,9H,4-6,8H2,2H3.
What are the key properties of 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide?
4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide has a molecular weight of 287.77 g/mol, XLogP of 1.11, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(cyclopropylmethyl)-1-methyl-N-prop-2-ynylpyrazole-5-sulfonamide is sourced from PubChem (CID 106150787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).