N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide

C12H16N8O2 — CID 91765551

IUPACN-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2cn[nH]c2-n2cnnn2)C1
InChIInChI=1S/C12H16N8O2/c1-2-13-11(21)8-3-4-19(6-8)12(22)9-5-14-16-10(9)20-7-15-17-18-20/h5,7-8H,2-4,6H2,1H3,(H,13,21)(H,14,16)
InChIKeyXZMIRQOATXOUHY-UHFFFAOYSA-N
MW304.31 g/mol
LogP-1.02
Rot. Bonds4

About N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide

N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide (PubChem CID 91765551) has the molecular formula C12H16N8O2 and a molecular weight of 304.31 g/mol. Its IUPAC name is N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound NameN-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
PubChem CID91765551
Molecular FormulaC12H16N8O2
Molecular Weight304.31 g/mol
Exact Mass304.14
IUPAC NameN-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide
SMILESCCNC(=O)C1CCN(C(=O)c2cn[nH]c2-n2cnnn2)C1
InChIInChI=1S/C12H16N8O2/c1-2-13-11(21)8-3-4-19(6-8)12(22)9-5-14-16-10(9)20-7-15-17-18-20/h5,7-8H,2-4,6H2,1H3,(H,13,21)(H,14,16)
InChIKeyXZMIRQOATXOUHY-UHFFFAOYSA-N
XLogP-1.02
TPSA121.69 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 5-1.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

pyrrolidin-1-yl-[(1R,6S,8R)-3-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-3-azabicyclo[4.2.0]octan-8-yl]methanone
CID 169416219
8-methyl-2-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,3,4,6,7,9a-hexahydropyrazino[1,2-a]pyrazin-9-one
CID 50985022
[(3R)-4-(cyclopropylmethyl)-3-propan-2-yl-1,4-diazepan-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95554976
(3S)-3-N-ethyl-1-N-[3-(tetrazol-1-yl)phenyl]pyrrolidine-1,3-dicarboxamide
CID 125166963
4-benzyl-3-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]-1,4-diazepan-5-one
CID 56873090
[(2R)-2-[4-[(dimethylamino)methyl]phenyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 99962130
[(3R)-3-[2-(3-methoxyphenyl)ethyl]piperidin-1-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 95717775
[2-(naphthalen-1-ylmethyl)morpholin-4-yl]-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 45210321
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]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91787581
N-[(1-propylpyrazol-4-yl)methyl]-5-(tetrazol-1-yl)-1H-pyrazole-4-carboxamide
CID 91789362
N-ethyl-1-(2H-triazole-4-carbonyl)piperidine-4-carboxamide
CID 112733334

Frequently Asked Questions

What is the IUPAC name of N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide?
The IUPAC name of N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide (CID 91765551) is N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide?
The canonical SMILES for N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide is CCNC(=O)C1CCN(C(=O)c2cn[nH]c2-n2cnnn2)C1.
What is the InChIKey of N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide?
The InChIKey is XZMIRQOATXOUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N8O2/c1-2-13-11(21)8-3-4-19(6-8)12(22)9-5-14-16-10(9)20-7-15-17-18-20/h5,7-8H,2-4,6H2,1H3,(H,13,21)(H,14,16).
What are the key properties of N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide?
N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide has a molecular weight of 304.31 g/mol, XLogP of -1.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-1-[5-(tetrazol-1-yl)-1H-pyrazole-4-carbonyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 91765551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).