N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

C16H20N6O2 — CID 100622833

IUPACN-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC[C@H](C)c1n[nH]c([C@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)n1
InChIInChI=1S/C16H20N6O2/c1-4-9(2)14-18-15(22-21-14)10(3)17-16(23)12-8-11(19-20-12)13-6-5-7-24-13/h5-10H,4H2,1-3H3,(H,17,23)(H,19,20)(H,18,21,22)/t9-,10-/m0/s1
InChIKeyXUMAQQTWWPIAFW-UWVGGRQHSA-N
MW328.38 g/mol
LogP2.79
Rot. Bonds6

About N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide

N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 100622833) has the molecular formula C16H20N6O2 and a molecular weight of 328.38 g/mol. Its IUPAC name is N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
PubChem CID100622833
Molecular FormulaC16H20N6O2
Molecular Weight328.38 g/mol
Exact Mass328.16
IUPAC NameN-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
SMILESCC[C@H](C)c1n[nH]c([C@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)n1
InChIInChI=1S/C16H20N6O2/c1-4-9(2)14-18-15(22-21-14)10(3)17-16(23)12-8-11(19-20-12)13-6-5-7-24-13/h5-10H,4H2,1-3H3,(H,17,23)(H,19,20)(H,18,21,22)/t9-,10-/m0/s1
InChIKeyXUMAQQTWWPIAFW-UWVGGRQHSA-N
XLogP2.79
TPSA112.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.38
LogP ≤ 52.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide with MolForge

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Related Compounds

N-butan-2-yl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 19513917
5-(furan-2-yl)-N-[(2R,3R)-1-hydroxy-3-methylpentan-2-yl]-1H-pyrazole-3-carboxamide
CID 124841426
5-(furan-2-yl)-N-[(2R)-1-hydroxy-3-methylbutan-2-yl]-1H-pyrazole-3-carboxamide
CID 124848185
N-tert-butyl-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 6626158
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CID 97020856
5-(furan-2-yl)-N-[1-[3-(methanesulfonamido)phenyl]ethyl]-1H-pyrazole-3-carboxamide
CID 86982220
N-(3-aminobutyl)-5-(furan-2-yl)-1H-pyrazole-3-carboxamide
CID 119498062
5-(furan-2-yl)-N-pentyl-1H-pyrazole-3-carboxamide
CID 25348232
5-(furan-2-yl)-N-prop-2-ynyl-1H-pyrazole-3-carboxamide
CID 25353049
5-(furan-2-yl)-N-[2-(propan-2-ylcarbamoyl)phenyl]-1H-pyrazole-3-carboxamide
CID 34564904
5-(furan-2-yl)-N-(1-morpholin-4-yl-1-oxopropan-2-yl)-1H-pyrazole-3-carboxamide
CID 86863853
5-(furan-2-yl)-N-[2-(methylamino)ethyl]-1H-pyrazole-3-carboxamide;hydrochloride
CID 119502872

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The IUPAC name of N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide (CID 100622833) is N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is CC[C@H](C)c1n[nH]c([C@H](C)NC(=O)c2cc(-c3ccco3)[nH]n2)n1.
What is the InChIKey of N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
The InChIKey is XUMAQQTWWPIAFW-UWVGGRQHSA-N. The full InChI is InChI=1S/C16H20N6O2/c1-4-9(2)14-18-15(22-21-14)10(3)17-16(23)12-8-11(19-20-12)13-6-5-7-24-13/h5-10H,4H2,1-3H3,(H,17,23)(H,19,20)(H,18,21,22)/t9-,10-/m0/s1.
What are the key properties of N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide?
N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 328.38 g/mol, XLogP of 2.79, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[(2S)-butan-2-yl]-1H-1,2,4-triazol-5-yl]ethyl]-5-(furan-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 100622833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).