1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

C18H23N7O2 — CID 131924947

IUPAC1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)Nc1cc(OC)cc(-n2cnnn2)c1
InChIInChI=1S/C18H23N7O2/c1-5-24-17(9-14(21-24)6-12(2)3)18(26)20-13-7-15(10-16(8-13)27-4)25-11-19-22-23-25/h7-12H,5-6H2,1-4H3,(H,20,26)
InChIKeyMTGFQEJHPMZCHQ-UHFFFAOYSA-N
MW369.43 g/mol
LogP2.34
Rot. Bonds7

About 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide

1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 131924947) has the molecular formula C18H23N7O2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID131924947
Molecular FormulaC18H23N7O2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(CC(C)C)cc1C(=O)Nc1cc(OC)cc(-n2cnnn2)c1
InChIInChI=1S/C18H23N7O2/c1-5-24-17(9-14(21-24)6-12(2)3)18(26)20-13-7-15(10-16(8-13)27-4)25-11-19-22-23-25/h7-12H,5-6H2,1-4H3,(H,20,26)
InChIKeyMTGFQEJHPMZCHQ-UHFFFAOYSA-N
XLogP2.34
TPSA99.75 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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CID 4155435
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2-cyclopropyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]pyrimidine-5-carboxamide
CID 131896599
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3-cyclopentyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]propanamide
CID 1231769
1-[(S)-cyclopropyl-(1-methylimidazol-2-yl)methyl]-3-[3-methoxy-5-(tetrazol-1-yl)phenyl]urea
CID 125172198
2-(dimethylamino)-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-4-methylpyrimidine-5-carboxamide
CID 131935094
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(piperidin-4-ylmethyl)urea
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CID 131934682
1-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-[2-(4-propan-2-yl-1,3-thiazol-2-yl)ethyl]urea
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formic acid;N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-2-(2,2,6,6-tetramethylpiperidin-4-yl)acetamide
CID 154915325
(2R,3S)-2-[[1-ethyl-3-(2-methylpropyl)pyrazole-5-carbonyl]amino]-3-hydroxybutanoic acid
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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide (CID 131924947) is 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(CC(C)C)cc1C(=O)Nc1cc(OC)cc(-n2cnnn2)c1.
What is the InChIKey of 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is MTGFQEJHPMZCHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N7O2/c1-5-24-17(9-14(21-24)6-12(2)3)18(26)20-13-7-15(10-16(8-13)27-4)25-11-19-22-23-25/h7-12H,5-6H2,1-4H3,(H,20,26).
What are the key properties of 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide?
1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 369.43 g/mol, XLogP of 2.34, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-[3-methoxy-5-(tetrazol-1-yl)phenyl]-3-(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 131924947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).