N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

C18H21N7O — CID 74242191

IUPACN-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccccc1-c1nn[nH]n1)C1CC1
InChIInChI=1S/C18H21N7O/c1-11-16(12(2)24(3)21-11)10-25(13-8-9-13)18(26)15-7-5-4-6-14(15)17-19-22-23-20-17/h4-7,13H,8-10H2,1-3H3,(H,19,20,22,23)
InChIKeyHRTXXSIMTRXIAX-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.02
Rot. Bonds5

About N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide

N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 74242191) has the molecular formula C18H21N7O and a molecular weight of 351.41 g/mol. Its IUPAC name is N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
PubChem CID74242191
Molecular FormulaC18H21N7O
Molecular Weight351.41 g/mol
Exact Mass351.18
IUPAC NameN-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(C)c(C)c1CN(C(=O)c1ccccc1-c1nn[nH]n1)C1CC1
InChIInChI=1S/C18H21N7O/c1-11-16(12(2)24(3)21-11)10-25(13-8-9-13)18(26)15-7-5-4-6-14(15)17-19-22-23-20-17/h4-7,13H,8-10H2,1-3H3,(H,19,20,22,23)
InChIKeyHRTXXSIMTRXIAX-UHFFFAOYSA-N
XLogP2.02
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide (CID 74242191) is N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(C)c(C)c1CN(C(=O)c1ccccc1-c1nn[nH]n1)C1CC1.
What is the InChIKey of N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is HRTXXSIMTRXIAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N7O/c1-11-16(12(2)24(3)21-11)10-25(13-8-9-13)18(26)15-7-5-4-6-14(15)17-19-22-23-20-17/h4-7,13H,8-10H2,1-3H3,(H,19,20,22,23).
What are the key properties of N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide?
N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-(2H-tetrazol-5-yl)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 74242191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).