N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

C16H16N8O2 — CID 146044321

IUPACN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C16H16N8O2/c25-15-2-1-7-23(15)12-5-3-11(4-6-12)9-17-16(26)13-8-14(20-19-13)24-10-18-21-22-24/h3-6,8,10H,1-2,7,9H2,(H,17,26)(H,19,20)
InChIKeyPMBDQVCPBBTJMZ-UHFFFAOYSA-N
MW352.36 g/mol
LogP0.44
Rot. Bonds5

About N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide

N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 146044321) has the molecular formula C16H16N8O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID146044321
Molecular FormulaC16H16N8O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC NameN-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C16H16N8O2/c25-15-2-1-7-23(15)12-5-3-11(4-6-12)9-17-16(26)13-8-14(20-19-13)24-10-18-21-22-24/h3-6,8,10H,1-2,7,9H2,(H,17,26)(H,19,20)
InChIKeyPMBDQVCPBBTJMZ-UHFFFAOYSA-N
XLogP0.44
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.36
LogP ≤ 50.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4,5,6,7-tetrahydro-1H-pyrazolo[5,4-c]pyridine-3-carboxamide
CID 165424880
N-[(4-fluorophenyl)methyl]-2-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 9270495
5-methyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1H-indazole-3-carboxamide
CID 78859139
2,4-difluoro-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 1259715
N-[(4-fluorophenyl)methyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 3466711
5-hydroxy-N-[[4-(2-oxopiperidin-1-yl)phenyl]methyl]pyridine-3-carboxamide
CID 75370768
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]pyridine-2-carboxamide
CID 8588320
3,4-dimethoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8588467
2-amino-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 77089489
4-(2-oxopyrrolidin-1-yl)-N-[[3-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 39003599
2-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589720

Frequently Asked Questions

What is the IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 146044321) is N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(N2CCCC2=O)cc1)c1cc(-n2cnnn2)n[nH]1.
What is the InChIKey of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is PMBDQVCPBBTJMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N8O2/c25-15-2-1-7-23(15)12-5-3-11(4-6-12)9-17-16(26)13-8-14(20-19-13)24-10-18-21-22-24/h3-6,8,10H,1-2,7,9H2,(H,17,26)(H,19,20).
What are the key properties of N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 352.36 g/mol, XLogP of 0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146044321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).