N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide

C13H18N6O2 — CID 154876523

IUPACN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC(C)n1cc(C2CC2C(=O)NCc2n[nH]c(=O)[nH]2)cn1
InChIInChI=1S/C13H18N6O2/c1-7(2)19-6-8(4-15-19)9-3-10(9)12(20)14-5-11-16-13(21)18-17-11/h4,6-7,9-10H,3,5H2,1-2H3,(H,14,20)(H2,16,17,18,21)
InChIKeyGBFULAUTGAXKJV-UHFFFAOYSA-N
MW290.33 g/mol
LogP0.30
Rot. Bonds5

About N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide

N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 154876523) has the molecular formula C13H18N6O2 and a molecular weight of 290.33 g/mol. Its IUPAC name is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID154876523
Molecular FormulaC13H18N6O2
Molecular Weight290.33 g/mol
Exact Mass290.15
IUPAC NameN-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESCC(C)n1cc(C2CC2C(=O)NCc2n[nH]c(=O)[nH]2)cn1
InChIInChI=1S/C13H18N6O2/c1-7(2)19-6-8(4-15-19)9-3-10(9)12(20)14-5-11-16-13(21)18-17-11/h4,6-7,9-10H,3,5H2,1-2H3,(H,14,20)(H2,16,17,18,21)
InChIKeyGBFULAUTGAXKJV-UHFFFAOYSA-N
XLogP0.30
TPSA108.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 50.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

cis-(1S,2R)-2-(3,4-difluorophenyl)-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]cyclopropane-1-carboxamide
CID 136692944
trans-(1S,2S)-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 95171765
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124680941
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
trans-(1S,2S)-2-(2-methylphenyl)-N-[3-(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)propyl]cyclopropane-1-carboxamide
CID 136807910
N-[(1R,2R)-2-[[2-(1-propan-2-ylpyrazol-4-yl)cyclopropanecarbonyl]amino]cyclopentyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
CID 167874612
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-4-pyrrolidin-1-ylpentanamide
CID 136607695
2-methyl-1-[2-(1-methylpyrazol-4-yl)cyclopropyl]propan-1-one
CID 139468604
3-methyl-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]oxetane-3-carboxamide
CID 137200750
N-[(2,4-dioxo-1H-pyrimidin-6-yl)methyl]-2-(4-propan-2-ylphenyl)cyclopropane-1-carboxamide
CID 126820381
(2S,3R)-4-methyl-3-(2-methylphenyl)-5-oxo-N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]morpholine-2-carboxamide
CID 137281032
(2S,3S)-N-[5-(4-methylphenyl)-1H-1,2,4-triazol-3-yl]-2-(1-propan-2-ylpyrazol-4-yl)oxolane-3-carboxamide
CID 128969422

Frequently Asked Questions

What is the IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 154876523) is N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide is CC(C)n1cc(C2CC2C(=O)NCc2n[nH]c(=O)[nH]2)cn1.
What is the InChIKey of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is GBFULAUTGAXKJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2/c1-7(2)19-6-8(4-15-19)9-3-10(9)12(20)14-5-11-16-13(21)18-17-11/h4,6-7,9-10H,3,5H2,1-2H3,(H,14,20)(H2,16,17,18,21).
What are the key properties of N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide?
N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 290.33 g/mol, XLogP of 0.30, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)methyl]-2-(1-propan-2-ylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 154876523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).