1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

C10H13N5OS — CID 110484349

IUPAC1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESCCCc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C10H13N5OS/c1-3-4-8-13-14-10(17-8)12-9(16)7-5-11-15(2)6-7/h5-6H,3-4H2,1-2H3,(H,12,14,16)
InChIKeyAWOYDTVDSZENFY-UHFFFAOYSA-N
MW251.31 g/mol
LogP1.48
Rot. Bonds4

About 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide

1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (PubChem CID 110484349) has the molecular formula C10H13N5OS and a molecular weight of 251.31 g/mol. Its IUPAC name is 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
PubChem CID110484349
Molecular FormulaC10H13N5OS
Molecular Weight251.31 g/mol
Exact Mass251.08
IUPAC Name1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
SMILESCCCc1nnc(NC(=O)c2cnn(C)c2)s1
InChIInChI=1S/C10H13N5OS/c1-3-4-8-13-14-10(17-8)12-9(16)7-5-11-15(2)6-7/h5-6H,3-4H2,1-2H3,(H,12,14,16)
InChIKeyAWOYDTVDSZENFY-UHFFFAOYSA-N
XLogP1.48
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.31
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 677143
4-ethyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109769
(3R,4S)-4-(1-methylpyrazol-4-yl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrrolidine-3-carboxamide
CID 120919205
4-methoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 825355
3,4-dimethoxy-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 811235
4-piperidin-1-ylsulfonyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109809
4-(azepan-1-ylsulfonyl)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109823
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide
CID 46527258
4-(difluoromethoxy)-N-(5-propyl-1,3,4-thiadiazol-2-yl)benzamide
CID 9109400
1-acetyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)-2,3-dihydroindole-5-carboxamide
CID 30587992
3-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)thiophene-2-carboxamide
CID 34109190
N-(5-propyl-1,3,4-thiadiazol-2-yl)pyridine-2-carboxamide
CID 717037

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide (CID 110484349) is 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is CCCc1nnc(NC(=O)c2cnn(C)c2)s1.
What is the InChIKey of 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
The InChIKey is AWOYDTVDSZENFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5OS/c1-3-4-8-13-14-10(17-8)12-9(16)7-5-11-15(2)6-7/h5-6H,3-4H2,1-2H3,(H,12,14,16).
What are the key properties of 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide?
1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide has a molecular weight of 251.31 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 110484349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).