N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide

C18H20N6O — CID 50952833

IUPACN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESCCn1ncnc1C(NC(=O)c1cccc(-n2cccn2)c1)C1CC1
InChIInChI=1S/C18H20N6O/c1-2-23-17(19-12-21-23)16(13-7-8-13)22-18(25)14-5-3-6-15(11-14)24-10-4-9-20-24/h3-6,9-13,16H,2,7-8H2,1H3,(H,22,25)
InChIKeyPWDILRPPBKWWMG-UHFFFAOYSA-N
MW336.40 g/mol
LogP2.36
Rot. Bonds6

About N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide

N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide (PubChem CID 50952833) has the molecular formula C18H20N6O and a molecular weight of 336.40 g/mol. Its IUPAC name is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide.

Molecular Properties

Compound NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide
PubChem CID50952833
Molecular FormulaC18H20N6O
Molecular Weight336.40 g/mol
Exact Mass336.17
IUPAC NameN-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide
SMILESCCn1ncnc1C(NC(=O)c1cccc(-n2cccn2)c1)C1CC1
InChIInChI=1S/C18H20N6O/c1-2-23-17(19-12-21-23)16(13-7-8-13)22-18(25)14-5-3-6-15(11-14)24-10-4-9-20-24/h3-6,9-13,16H,2,7-8H2,1H3,(H,22,25)
InChIKeyPWDILRPPBKWWMG-UHFFFAOYSA-N
XLogP2.36
TPSA77.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 125161407
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4-(2,4-dioxoimidazolidin-1-yl)benzamide
CID 125161410
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-6-(dimethylamino)pyridine-3-carboxamide
CID 118778831
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-1,2,3,4-tetrahydroquinoline-8-carboxamide
CID 126428818
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-methylsulfanylbenzamide
CID 91794119
N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]tetrazolo[1,5-a]pyridine-6-carboxamide
CID 126442842
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 118793931
3-chloro-N-[(R)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]pyridine-4-carboxamide
CID 126427323
N-[oxan-4-yl(pyridin-3-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 91629823
N-[(S)-cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-ethyl-4-methyl-1,3-oxazole-5-carboxamide
CID 126446578
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 91828880
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-2-pyridin-4-ylsulfanylacetamide
CID 91778065

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide?
The IUPAC name of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide (CID 50952833) is N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide.
What is the SMILES notation for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide?
The canonical SMILES for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide is CCn1ncnc1C(NC(=O)c1cccc(-n2cccn2)c1)C1CC1.
What is the InChIKey of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide?
The InChIKey is PWDILRPPBKWWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O/c1-2-23-17(19-12-21-23)16(13-7-8-13)22-18(25)14-5-3-6-15(11-14)24-10-4-9-20-24/h3-6,9-13,16H,2,7-8H2,1H3,(H,22,25).
What are the key properties of N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide?
N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide has a molecular weight of 336.40 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(2-ethyl-1,2,4-triazol-3-yl)methyl]-3-pyrazol-1-ylbenzamide is sourced from PubChem (CID 50952833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).