4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide

C13H17N5O2S — CID 106065426

IUPAC4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C13H17N5O2S/c1-9-6-14-5-4-12(9)18-21(19,20)13-10(8-16-17-13)7-15-11-2-3-11/h4-6,8,11,15H,2-3,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyNULRGFHLNOPQRR-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.17
Rot. Bonds6

About 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide

4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide (PubChem CID 106065426) has the molecular formula C13H17N5O2S and a molecular weight of 307.38 g/mol. Its IUPAC name is 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide.

Molecular Properties

Compound Name4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide
PubChem CID106065426
Molecular FormulaC13H17N5O2S
Molecular Weight307.38 g/mol
Exact Mass307.11
IUPAC Name4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1[nH]ncc1CNC1CC1
InChIInChI=1S/C13H17N5O2S/c1-9-6-14-5-4-12(9)18-21(19,20)13-10(8-16-17-13)7-15-11-2-3-11/h4-6,8,11,15H,2-3,7H2,1H3,(H,14,18)(H,16,17)
InChIKeyNULRGFHLNOPQRR-UHFFFAOYSA-N
XLogP1.17
TPSA99.77 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-(3-(pyridin-4-yl)-1H-pyrazol-1-yl)ethyl)cyclopropanesulfonamide
CID 71807860
1-(5-methyl-1H-pyrazol-4-yl)-N-(pyridin-3-ylmethyl)ethanamine
CID 75384291
2-methyl-4-[1-(1H-pyrazol-4-ylsulfonyl)piperidin-3-yl]pyridine
CID 110258914
5-Pyridin-3-ylsulfonyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine
CID 53185451
[(1-Ethylpyrazol-4-yl)sulfonyl](3-pyridylmethyl)amine
CID 6465525
1,3-dimethyl-N-(3-pyridinylmethyl)-1H-pyrazole-4-sulfonamide
CID 6467759
1-methyl-N-(1-pyridin-4-ylethyl)pyrazole-4-sulfonamide
CID 45822243
1-methyl-N-(2-pyridin-3-ylethyl)pyrazole-4-sulfonamide
CID 45822331
N,5-dimethyl-N-(pyridin-4-ylmethyl)-1H-pyrazole-4-sulfonamide
CID 54929779
4-[1-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]azetidin-3-yl]pyridine
CID 56906910
2-ethyl-N-[(1S)-1-(4-methyl-2-pyridinyl)propyl]pyrazole-3-sulfonamide
CID 125435130
2-propan-2-yl-N-[(1S)-1-pyridin-3-ylethyl]pyrazole-3-sulfonamide
CID 125435874

Frequently Asked Questions

What is the IUPAC name of 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide?
The IUPAC name of 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide (CID 106065426) is 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide.
What is the SMILES notation for 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide?
The canonical SMILES for 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide is Cc1cnccc1NS(=O)(=O)c1[nH]ncc1CNC1CC1.
What is the InChIKey of 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide?
The InChIKey is NULRGFHLNOPQRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S/c1-9-6-14-5-4-12(9)18-21(19,20)13-10(8-16-17-13)7-15-11-2-3-11/h4-6,8,11,15H,2-3,7H2,1H3,(H,14,18)(H,16,17).
What are the key properties of 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide?
4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.17, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(cyclopropylamino)methyl]-N-(3-methyl-4-pyridinyl)-1H-pyrazole-5-sulfonamide is sourced from PubChem (CID 106065426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).