N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide

C14H20N4OS — CID 95119568

IUPACN,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(C)[C@@H](C)c2nccs2)c1C
InChIInChI=1S/C14H20N4OS/c1-5-7-18-10(2)12(9-16-18)14(19)17(4)11(3)13-15-6-8-20-13/h6,8-9,11H,5,7H2,1-4H3/t11-/m0/s1
InChIKeyCGDCSSMMWFLUJI-NSHDSACASA-N
MW292.41 g/mol
LogP2.89
Rot. Bonds5

About N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide

N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide (PubChem CID 95119568) has the molecular formula C14H20N4OS and a molecular weight of 292.41 g/mol. Its IUPAC name is N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide.

Molecular Properties

Compound NameN,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
PubChem CID95119568
Molecular FormulaC14H20N4OS
Molecular Weight292.41 g/mol
Exact Mass292.14
IUPAC NameN,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide
SMILESCCCn1ncc(C(=O)N(C)[C@@H](C)c2nccs2)c1C
InChIInChI=1S/C14H20N4OS/c1-5-7-18-10(2)12(9-16-18)14(19)17(4)11(3)13-15-6-8-20-13/h6,8-9,11H,5,7H2,1-4H3/t11-/m0/s1
InChIKeyCGDCSSMMWFLUJI-NSHDSACASA-N
XLogP2.89
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.41
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide?
The IUPAC name of N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide (CID 95119568) is N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide.
What is the SMILES notation for N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide?
The canonical SMILES for N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide is CCCn1ncc(C(=O)N(C)[C@@H](C)c2nccs2)c1C.
What is the InChIKey of N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide?
The InChIKey is CGDCSSMMWFLUJI-NSHDSACASA-N. The full InChI is InChI=1S/C14H20N4OS/c1-5-7-18-10(2)12(9-16-18)14(19)17(4)11(3)13-15-6-8-20-13/h6,8-9,11H,5,7H2,1-4H3/t11-/m0/s1.
What are the key properties of N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide?
N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide has a molecular weight of 292.41 g/mol, XLogP of 2.89, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,5-dimethyl-1-propyl-N-[(1S)-1-(1,3-thiazol-2-yl)ethyl]pyrazole-4-carboxamide is sourced from PubChem (CID 95119568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).