N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide

C12H20N4O4S — CID 61004747

IUPACN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
SMILESCc1[nH]ncc1CNC(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H20N4O4S/c1-10-11(9-14-15-10)8-13-12(17)2-7-21(18,19)16-3-5-20-6-4-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeySEMHLHKOFPCSQW-UHFFFAOYSA-N
MW316.38 g/mol
LogP-0.61
Rot. Bonds6

About N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide

N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide (PubChem CID 61004747) has the molecular formula C12H20N4O4S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide.

Molecular Properties

Compound NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
PubChem CID61004747
Molecular FormulaC12H20N4O4S
Molecular Weight316.38 g/mol
Exact Mass316.12
IUPAC NameN-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
SMILESCc1[nH]ncc1CNC(=O)CCS(=O)(=O)N1CCOCC1
InChIInChI=1S/C12H20N4O4S/c1-10-11(9-14-15-10)8-13-12(17)2-7-21(18,19)16-3-5-20-6-4-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15)
InChIKeySEMHLHKOFPCSQW-UHFFFAOYSA-N
XLogP-0.61
TPSA104.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 5-0.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-ylmethyl)propanamide
CID 60982188
3-morpholin-4-ylsulfonyl-N-(1H-1,2,4-triazol-5-yl)propanamide
CID 62945639
N-[(1,2-dimethylindol-5-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110425662
3-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]butanamide
CID 60767372
4-(2-methylphenyl)-N-(2-morpholin-4-ylsulfonylethyl)butanamide
CID 110626702
2-[2-[(5-methyl-1H-pyrazol-4-yl)methylamino]-2-oxoethyl]sulfanylacetic acid
CID 104569662
N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
CID 112729713
N-(2,3-dihydroxy-2-methylpropyl)-3-morpholin-4-ylsulfonylpropanamide
CID 66169421
3-(6-methyl-2,4-dioxo-1H-pyrimidin-5-yl)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]propanamide
CID 61004753
3-morpholin-4-ylsulfonyl-N-phenylpropanamide
CID 60667161
3-morpholin-4-ylsulfonyl-N-[2-(1,3-thiazol-4-yl)ethyl]propanamide
CID 110305020
N-[2-(4-methoxyphenoxy)ethyl]-3-morpholin-4-ylsulfonylpropanamide
CID 110296118

Frequently Asked Questions

What is the IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide?
The IUPAC name of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide (CID 61004747) is N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide.
What is the SMILES notation for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide?
The canonical SMILES for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide is Cc1[nH]ncc1CNC(=O)CCS(=O)(=O)N1CCOCC1.
What is the InChIKey of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide?
The InChIKey is SEMHLHKOFPCSQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O4S/c1-10-11(9-14-15-10)8-13-12(17)2-7-21(18,19)16-3-5-20-6-4-16/h9H,2-8H2,1H3,(H,13,17)(H,14,15).
What are the key properties of N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide?
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide has a molecular weight of 316.38 g/mol, XLogP of -0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-morpholin-4-ylsulfonylpropanamide is sourced from PubChem (CID 61004747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).