N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide

C16H16N4O2 — CID 122153617

IUPACN-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)n1
InChIInChI=1S/C16H16N4O2/c1-22-11-20-8-5-14(19-20)15(21)18-16(6-7-16)13-4-2-3-12(9-13)10-17/h2-5,8-9H,6-7,11H2,1H3,(H,18,21)
InChIKeyVNAUNSXFTIKIDY-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.78
Rot. Bonds5

About N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide

N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide (PubChem CID 122153617) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide
PubChem CID122153617
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC NameN-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide
SMILESCOCn1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)n1
InChIInChI=1S/C16H16N4O2/c1-22-11-20-8-5-14(19-20)15(21)18-16(6-7-16)13-4-2-3-12(9-13)10-17/h2-5,8-9H,6-7,11H2,1H3,(H,18,21)
InChIKeyVNAUNSXFTIKIDY-UHFFFAOYSA-N
XLogP1.78
TPSA79.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-cyanophenyl)cyclopropyl]-3-ethoxy-1H-pyrazole-5-carboxamide
CID 122153524
(E)-N-[1-(3-cyanophenyl)cyclopropyl]-4-(dimethylamino)but-2-enamide
CID 146097715
N-[1-(3-cyanophenyl)cyclopropyl]oxirane-2-carboxamide
CID 154880376
N-(2-methoxyethyl)-1-(methoxymethyl)pyrazole-3-carboxamide
CID 19270943
(1S)-N-[1-(3-cyanophenyl)cyclopropyl]-2,2-difluorocyclopropane-1-carboxamide
CID 125144380
N-[1-(3-cyanophenyl)cyclopropyl]-2-(3-methylazetidin-1-yl)propanamide
CID 122153638
3-[[4-(3-cyanophenyl)oxan-4-yl]carbamoyl]benzoic acid
CID 154788901
N-[4-(3-cyanophenyl)oxan-4-yl]-2-(ethylamino)-1,3-thiazole-5-carboxamide
CID 126824836
6-[[1-(3-cyanophenyl)cyclobutyl]methylamino]-N-methylpyridazine-3-carboxamide
CID 170580863
N-[1-(3-cyanophenyl)cyclopropyl]-2-[4-(trifluoromethyl)-3-pyridinyl]acetamide
CID 122153691
1-ethyl-N-(3-phenyloxan-3-yl)pyrazole-3-carboxamide
CID 166300928
N-[1-(3-cyanophenyl)cyclopropyl]-2-methyl-4,5,6,7-tetrahydro-3H-benzimidazole-5-carboxamide
CID 122153612

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide (CID 122153617) is N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide is COCn1ccc(C(=O)NC2(c3cccc(C#N)c3)CC2)n1.
What is the InChIKey of N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
The InChIKey is VNAUNSXFTIKIDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-22-11-20-8-5-14(19-20)15(21)18-16(6-7-16)13-4-2-3-12(9-13)10-17/h2-5,8-9H,6-7,11H2,1H3,(H,18,21).
What are the key properties of N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide?
N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide has a molecular weight of 296.33 g/mol, XLogP of 1.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-cyanophenyl)cyclopropyl]-1-(methoxymethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 122153617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).