N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

C12H12N8O2 — CID 91787581

IUPACN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cc(C2CC2)on1)c1cn[nH]c1-n1cnnn1
InChIInChI=1S/C12H12N8O2/c21-12(9-5-14-16-11(9)20-6-15-18-19-20)13-4-8-3-10(22-17-8)7-1-2-7/h3,5-7H,1-2,4H2,(H,13,21)(H,14,16)
InChIKeyBZCGINVOAMDCAK-UHFFFAOYSA-N
MW300.28 g/mol
LogP0.18
Rot. Bonds5

About N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide

N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (PubChem CID 91787581) has the molecular formula C12H12N8O2 and a molecular weight of 300.28 g/mol. Its IUPAC name is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
PubChem CID91787581
Molecular FormulaC12H12N8O2
Molecular Weight300.28 g/mol
Exact Mass300.11
IUPAC NameN-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1cc(C2CC2)on1)c1cn[nH]c1-n1cnnn1
InChIInChI=1S/C12H12N8O2/c21-12(9-5-14-16-11(9)20-6-15-18-19-20)13-4-8-3-10(22-17-8)7-1-2-7/h3,5-7H,1-2,4H2,(H,13,21)(H,14,16)
InChIKeyBZCGINVOAMDCAK-UHFFFAOYSA-N
XLogP0.18
TPSA127.41 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.28
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[2-(3-phenylpiperidin-1-yl)ethyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 131910534
N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91789362
N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
CID 91765551
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methyl-2-oxoquinoline-4-carboxamide
CID 121497375
methyl 3-[(5-cyclopropyl-1,2-oxazol-3-yl)methylcarbamoyl]-5-hydroxybenzoate
CID 122570211
5-cyclopropyl-N-(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-ylmethyl)-1H-pyrazole-4-carboxamide
CID 154763220
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-(piperidin-3-ylmethyl)triazole-4-carboxamide
CID 56713630
N-[1-(4,5-dimethyl-1,3-thiazol-2-yl)propyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91778058
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-1-methylpyrazolo[4,5-b]pyridine-6-carboxamide;formic acid
CID 163341206
N-(1-methylpiperidin-4-yl)-N-(pyridin-4-ylmethyl)-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 56902109
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-4-(1-methylimidazol-2-yl)benzamide
CID 119074837
[(1S,5R)-3-(oxan-4-yl)-3,6-diazabicyclo[3.2.2]nonan-6-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 72892915

Frequently Asked Questions

What is the IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide (CID 91787581) is N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is O=C(NCc1cc(C2CC2)on1)c1cn[nH]c1-n1cnnn1.
What is the InChIKey of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
The InChIKey is BZCGINVOAMDCAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N8O2/c21-12(9-5-14-16-11(9)20-6-15-18-19-20)13-4-8-3-10(22-17-8)7-1-2-7/h3,5-7H,1-2,4H2,(H,13,21)(H,14,16).
What are the key properties of N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide?
N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide has a molecular weight of 300.28 g/mol, XLogP of 0.18, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-cyclopropyl-1,2-oxazol-3-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 91787581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).