N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide

C12H18ClN5O2S — CID 29089499

IUPACN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cn1
InChIInChI=1S/C12H18ClN5O2S/c1-4-5-18-8-10(6-15-18)21(19,20)16(2)9-12-11(13)7-14-17(12)3/h6-8H,4-5,9H2,1-3H3
InChIKeyVPLWMCVUJWBCQA-UHFFFAOYSA-N
MW331.83 g/mol
LogP1.50
Rot. Bonds6

About N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide

N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide (PubChem CID 29089499) has the molecular formula C12H18ClN5O2S and a molecular weight of 331.83 g/mol. Its IUPAC name is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide
PubChem CID29089499
Molecular FormulaC12H18ClN5O2S
Molecular Weight331.83 g/mol
Exact Mass331.09
IUPAC NameN-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide
SMILESCCCn1cc(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cn1
InChIInChI=1S/C12H18ClN5O2S/c1-4-5-18-8-10(6-15-18)21(19,20)16(2)9-12-11(13)7-14-17(12)3/h6-8H,4-5,9H2,1-3H3
InChIKeyVPLWMCVUJWBCQA-UHFFFAOYSA-N
XLogP1.50
TPSA73.02 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.83
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The IUPAC name of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide (CID 29089499) is N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide is CCCn1cc(S(=O)(=O)N(C)Cc2c(Cl)cnn2C)cn1.
What is the InChIKey of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide?
The InChIKey is VPLWMCVUJWBCQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN5O2S/c1-4-5-18-8-10(6-15-18)21(19,20)16(2)9-12-11(13)7-14-17(12)3/h6-8H,4-5,9H2,1-3H3.
What are the key properties of N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide?
N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide has a molecular weight of 331.83 g/mol, XLogP of 1.50, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chloro-1-methylpyrazol-5-yl)methyl]-N-methyl-1-propylpyrazole-4-sulfonamide is sourced from PubChem (CID 29089499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).