N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

C15H20N4O3S — CID 32535295

IUPACN-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)n[nH]1
InChIInChI=1S/C15H20N4O3S/c1-3-5-12-9-14(18-17-12)15(20)16-10-11-6-4-7-13(8-11)19-23(2,21)22/h4,6-9,19H,3,5,10H2,1-2H3,(H,16,20)(H,17,18)
InChIKeySAPIDNSRIRQJMA-UHFFFAOYSA-N
MW336.42 g/mol
LogP1.66
Rot. Bonds7

About N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide

N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (PubChem CID 32535295) has the molecular formula C15H20N4O3S and a molecular weight of 336.42 g/mol. Its IUPAC name is N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
PubChem CID32535295
Molecular FormulaC15H20N4O3S
Molecular Weight336.42 g/mol
Exact Mass336.13
IUPAC NameN-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
SMILESCCCc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)n[nH]1
InChIInChI=1S/C15H20N4O3S/c1-3-5-12-9-14(18-17-12)15(20)16-10-11-6-4-7-13(8-11)19-23(2,21)22/h4,6-9,19H,3,5,10H2,1-2H3,(H,16,20)(H,17,18)
InChIKeySAPIDNSRIRQJMA-UHFFFAOYSA-N
XLogP1.66
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 51.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-chlorophenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55554809
N-[(3-propoxyphenyl)methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 55969246
N-[[4-(ethylcarbamoyl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 87045448
N-[[3-(methanesulfonamido)phenyl]methyl]-5-methylpyrazine-2-carboxamide
CID 46533069
2,6-difluoro-N-[[3-(methanesulfonamido)phenyl]methyl]benzamide
CID 32535953
N-[[3-(2-oxopiperidin-1-yl)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 71886757
N-(3-acetamidophenyl)-5-propyl-1H-pyrazole-3-carboxamide
CID 36709127
N-[3-[[(5-methyl-1H-pyrazole-3-carbonyl)amino]methyl]phenyl]pyridine-2-carboxamide
CID 167888632
N-[(2S)-2-hydroxy-2-phenylethyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97118692
N-pentyl-5-propyl-1H-pyrazole-3-carboxamide
CID 36701505
N-[[(1R)-2,2-dimethyl-1-phenylcyclopropyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 97128347
6-(dimethylamino)-N-[[3-(methanesulfonamido)phenyl]methyl]pyridine-3-carboxamide
CID 32536301

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide (CID 32535295) is N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is CCCc1cc(C(=O)NCc2cccc(NS(C)(=O)=O)c2)n[nH]1.
What is the InChIKey of N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
The InChIKey is SAPIDNSRIRQJMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3S/c1-3-5-12-9-14(18-17-12)15(20)16-10-11-6-4-7-13(8-11)19-23(2,21)22/h4,6-9,19H,3,5,10H2,1-2H3,(H,16,20)(H,17,18).
What are the key properties of N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide?
N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide has a molecular weight of 336.42 g/mol, XLogP of 1.66, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(methanesulfonamido)phenyl]methyl]-5-propyl-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 32535295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).