N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide

C16H16N4O2 — CID 122153524

IUPACN-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)[nH]n1
InChIInChI=1S/C16H16N4O2/c1-2-22-14-9-13(19-20-14)15(21)18-16(6-7-16)12-5-3-4-11(8-12)10-17/h3-5,8-9H,2,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyADMXKPHMMZJONX-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.10
Rot. Bonds5

About N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide

N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide (PubChem CID 122153524) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide
PubChem CID122153524
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide
SMILESCCOc1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)[nH]n1
InChIInChI=1S/C16H16N4O2/c1-2-22-14-9-13(19-20-14)15(21)18-16(6-7-16)12-5-3-4-11(8-12)10-17/h3-5,8-9H,2,6-7H2,1H3,(H,18,21)(H,19,20)
InChIKeyADMXKPHMMZJONX-UHFFFAOYSA-N
XLogP2.10
TPSA90.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide
CID 122153617
N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 126824836
(E)-N-[1-(3-cyanophenyl)cyclopropyl]-4-(dimethylamino)but-2-enamide
CID 146097715
N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
CID 122153638
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 122153691
3-ethoxy-N-[2-(4-fluorophenyl)propyl]-1H-pyrazole-5-carboxamide
CID 110279600
N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 122153612
N-[1-(3-fluorophenyl)cyclopentyl]-5-propyl-1H-pyrazole-3-carboxamide
CID 46963776
2-[(4S)-4-(3-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-diethylacetamide
CID 94798161

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide (CID 122153524) is N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide is CCOc1cc(C(=O)NC2(c3cccc(C#N)c3)CC2)[nH]n1.
What is the InChIKey of N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
The InChIKey is ADMXKPHMMZJONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-2-22-14-9-13(19-20-14)15(21)18-16(6-7-16)12-5-3-4-11(8-12)10-17/h3-5,8-9H,2,6-7H2,1H3,(H,18,21)(H,19,20).
What are the key properties of N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide?
N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 122153524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).