3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide

C20H17N5O3 — CID 75489933

IUPAC3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)[nH]n1
InChIInChI=1S/C20H17N5O3/c1-25-11-21-15-8-7-12(9-14(15)20(25)27)22-19(26)17-10-16(23-24-17)13-5-3-4-6-18(13)28-2/h3-11H,1-2H3,(H,22,26)(H,23,24)
InChIKeyMULKDXHKDWSLQQ-UHFFFAOYSA-N
MW375.39 g/mol
LogP2.58
Rot. Bonds4

About 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide

3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide (PubChem CID 75489933) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
PubChem CID75489933
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC Name3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)[nH]n1
InChIInChI=1S/C20H17N5O3/c1-25-11-21-15-8-7-12(9-14(15)20(25)27)22-19(26)17-10-16(23-24-17)13-5-3-4-6-18(13)28-2/h3-11H,1-2H3,(H,22,26)(H,23,24)
InChIKeyMULKDXHKDWSLQQ-UHFFFAOYSA-N
XLogP2.58
TPSA101.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide (CID 75489933) is 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide is COc1ccccc1-c1cc(C(=O)Nc2ccc3ncn(C)c(=O)c3c2)[nH]n1.
What is the InChIKey of 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide?
The InChIKey is MULKDXHKDWSLQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-25-11-21-15-8-7-12(9-14(15)20(25)27)22-19(26)17-10-16(23-24-17)13-5-3-4-6-18(13)28-2/h3-11H,1-2H3,(H,22,26)(H,23,24).
What are the key properties of 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide?
3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 2.58, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-N-(3-methyl-4-oxoquinazolin-6-yl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 75489933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).