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

C12H15N9O2 — CID 146046306

IUPACN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C12H15N9O2/c1-23-3-2-20-7-13-5-9(20)6-14-12(22)10-4-11(17-16-10)21-8-15-18-19-21/h4-5,7-8H,2-3,6H2,1H3,(H,14,22)(H,16,17)
InChIKeyJLZPCCJNESWWOU-UHFFFAOYSA-N
MW317.31 g/mol
LogP-0.84
Rot. Bonds7

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

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (PubChem CID 146046306) has the molecular formula C12H15N9O2 and a molecular weight of 317.31 g/mol. Its IUPAC name is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
PubChem CID146046306
Molecular FormulaC12H15N9O2
Molecular Weight317.31 g/mol
Exact Mass317.13
IUPAC NameN-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
SMILESCOCCn1cncc1CNC(=O)c1cc(-n2cnnn2)n[nH]1
InChIInChI=1S/C12H15N9O2/c1-23-3-2-20-7-13-5-9(20)6-14-12(22)10-4-11(17-16-10)21-8-15-18-19-21/h4-5,7-8H,2-3,6H2,1H3,(H,14,22)(H,16,17)
InChIKeyJLZPCCJNESWWOU-UHFFFAOYSA-N
XLogP-0.84
TPSA128.43 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 5-0.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2,3,5,6-tetramethylbenzamide
CID 46992676
4-fluoro-3-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]benzamide
CID 91773799
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-(1-methyl-6-oxopyridazin-3-yl)benzamide
CID 122563016
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]cyclopentanecarboxamide
CID 91774846
(2R)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrazol-1-ylpropanamide
CID 126431414
N-[3-(pyridin-3-ylamino)propyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide
CID 146042205
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91777901
3-(5,6-dimethyl-1H-benzimidazol-2-yl)-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135091789
2-methoxy-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]pyridine-3-carboxamide
CID 118771778
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-2-propan-2-ylpyrazole-3-carboxamide
CID 119066697
2-ethylsulfanyl-N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]propanamide
CID 135110031
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-4-[(3R)-piperidin-3-yl]benzamide
CID 97201129

Frequently Asked Questions

What is the IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide (CID 146046306) is N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is COCCn1cncc1CNC(=O)c1cc(-n2cnnn2)n[nH]1.
What is the InChIKey of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is JLZPCCJNESWWOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N9O2/c1-23-3-2-20-7-13-5-9(20)6-14-12(22)10-4-11(17-16-10)21-8-15-18-19-21/h4-5,7-8H,2-3,6H2,1H3,(H,14,22)(H,16,17).
What are the key properties of N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide?
N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 317.31 g/mol, XLogP of -0.84, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(2-methoxyethyl)imidazol-4-yl]methyl]-3-(tetrazol-1-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 146046306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).