N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C20H23N5O — CID 50984971

IUPACN-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cccc(-n2cccn2)c1)C1CC1
InChIInChI=1S/C20H23N5O/c1-14-19(15(2)23(3)22-14)13-24(17-8-9-17)20(26)16-6-4-7-18(12-16)25-11-5-10-21-25/h4-7,10-12,17H,8-9,13H2,1-3H3
InChIKeyCXJKINNSNDKOPF-UHFFFAOYSA-N
MW349.44 g/mol
LogP3.03
Rot. Bonds5

About N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 50984971) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID50984971
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC NameN-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1cccc(-n2cccn2)c1)C1CC1
InChIInChI=1S/C20H23N5O/c1-14-19(15(2)23(3)22-14)13-24(17-8-9-17)20(26)16-6-4-7-18(12-16)25-11-5-10-21-25/h4-7,10-12,17H,8-9,13H2,1-3H3
InChIKeyCXJKINNSNDKOPF-UHFFFAOYSA-N
XLogP3.03
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopropyl-N-[(5-methylthiophen-2-yl)methyl]-3-pyrazol-1-ylbenzamide
CID 70753616
N-methyl-N-[(3-pyrazol-1-ylphenyl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70750092
N-cyclopropyl-2,3-dimethyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1H-indole-7-carboxamide
CID 72931796
4-(2-amino-2-oxoethoxy)-N-cyclopropyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 50951963
N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
CID 74242191
N-cyclopropyl-5-methyl-1-propyl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 72884307
N-cyclopropyl-N-[(2,5-dimethoxyphenyl)methyl]-3-(3-methylpyrazol-1-yl)benzamide
CID 47078841
N-benzyl-N-cyclopropyl-4-pyrazol-1-ylbenzamide
CID 38270812
N-cyclopropyl-5-(isoquinolin-5-yloxymethyl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,2-oxazole-3-carboxamide
CID 25486572
3-[[cyclopropyl-[(1,3,5-trimethylpyrazol-4-yl)methyl]carbamoyl]amino]-4-methylbenzamide
CID 72890543
1-cyclopropyl-3-[(2,3-dichlorophenyl)methyl]-1-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 122556095
N-cyclopropyl-5-pyridin-4-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]pyrazolidine-3-carboxamide
CID 134127915

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 50984971) is N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CN(C(=O)c1cccc(-n2cccn2)c1)C1CC1.
What is the InChIKey of N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is CXJKINNSNDKOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-14-19(15(2)23(3)22-14)13-24(17-8-9-17)20(26)16-6-4-7-18(12-16)25-11-5-10-21-25/h4-7,10-12,17H,8-9,13H2,1-3H3.
What are the key properties of N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 349.44 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-pyrazol-1-yl-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 50984971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).