N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

C14H20N6O — CID 95625489

IUPACN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESC[C@H](C1CC1)n1nccc1NC(=O)CCCn1cncn1
InChIInChI=1S/C14H20N6O/c1-11(12-4-5-12)20-13(6-7-16-20)18-14(21)3-2-8-19-10-15-9-17-19/h6-7,9-12H,2-5,8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyBMRBRGUUFOVJNR-LLVKDONJSA-N
MW288.36 g/mol
LogP1.86
Rot. Bonds7

About N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide

N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (PubChem CID 95625489) has the molecular formula C14H20N6O and a molecular weight of 288.36 g/mol. Its IUPAC name is N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.

Molecular Properties

Compound NameN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
PubChem CID95625489
Molecular FormulaC14H20N6O
Molecular Weight288.36 g/mol
Exact Mass288.17
IUPAC NameN-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide
SMILESC[C@H](C1CC1)n1nccc1NC(=O)CCCn1cncn1
InChIInChI=1S/C14H20N6O/c1-11(12-4-5-12)20-13(6-7-16-20)18-14(21)3-2-8-19-10-15-9-17-19/h6-7,9-12H,2-5,8H2,1H3,(H,18,21)/t11-/m1/s1
InChIKeyBMRBRGUUFOVJNR-LLVKDONJSA-N
XLogP1.86
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.36
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide with MolForge

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Related Compounds

3-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-methylamino]propanoic acid
CID 119911922
2-(4-butylphenyl)-N-[2-(1-cyclopropylethyl)pyrazol-3-yl]acetamide
CID 112771337
N-(4-acetamidophenyl)-2-[[2-[[2-(1-cyclopropylethyl)pyrazol-3-yl]amino]-2-oxoethyl]-ethylamino]acetamide
CID 55830518
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-4-(4-ethoxyphenyl)-4-oxobutanamide
CID 112761610
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-phenoxyacetamide
CID 60594497
N-[4-[2-(cyclopropylamino)-2-oxoethyl]phenyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 131944538
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(4-phenylphenyl)acetamide
CID 112761634
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(3,4-dichlorophenyl)acetamide
CID 112761641
3-[[2-(1-cyclopropylethyl)pyrazol-3-yl]carbamoylamino]propanoic acid
CID 122090385
N-[2-(1-cyclopropylethyl)pyrazol-3-yl]-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 112761644
N-methyl-4-(1,2,4-triazol-1-yl)butanamide
CID 61037544
N'-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-N-(2-methylpropyl)oxamide
CID 97310300

Frequently Asked Questions

What is the IUPAC name of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The IUPAC name of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide (CID 95625489) is N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide.
What is the SMILES notation for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The canonical SMILES for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is C[C@H](C1CC1)n1nccc1NC(=O)CCCn1cncn1.
What is the InChIKey of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
The InChIKey is BMRBRGUUFOVJNR-LLVKDONJSA-N. The full InChI is InChI=1S/C14H20N6O/c1-11(12-4-5-12)20-13(6-7-16-20)18-14(21)3-2-8-19-10-15-9-17-19/h6-7,9-12H,2-5,8H2,1H3,(H,18,21)/t11-/m1/s1.
What are the key properties of N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide?
N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide has a molecular weight of 288.36 g/mol, XLogP of 1.86, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(1R)-1-cyclopropylethyl]pyrazol-3-yl]-4-(1,2,4-triazol-1-yl)butanamide is sourced from PubChem (CID 95625489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).