2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one

C13H13N5O2 — CID 136925358

IUPAC2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
SMILESCOCc1[nH]nc(N)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C13H13N5O2/c1-20-6-9-10(11(14)18-17-9)12-15-8-5-3-2-4-7(8)13(19)16-12/h2-5H,6H2,1H3,(H3,14,17,18)(H,15,16,19)
InChIKeyMTLPQCLDQHBXFJ-UHFFFAOYSA-N
MW271.28 g/mol
LogP1.04
Rot. Bonds3

About 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one

2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one (PubChem CID 136925358) has the molecular formula C13H13N5O2 and a molecular weight of 271.28 g/mol. Its IUPAC name is 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
PubChem CID136925358
Molecular FormulaC13H13N5O2
Molecular Weight271.28 g/mol
Exact Mass271.11
IUPAC Name2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
SMILESCOCc1[nH]nc(N)c1-c1nc2ccccc2c(=O)[nH]1
InChIInChI=1S/C13H13N5O2/c1-20-6-9-10(11(14)18-17-9)12-15-8-5-3-2-4-7(8)13(19)16-12/h2-5H,6H2,1H3,(H3,14,17,18)(H,15,16,19)
InChIKeyMTLPQCLDQHBXFJ-UHFFFAOYSA-N
XLogP1.04
TPSA109.68 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-amino-5-(2-methoxyethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one
CID 136925362
2-(4-oxo-3H-quinazolin-2-yl)-3H-quinazolin-4-one
CID 135465251
2-(2,6-difluoro-4-methoxyphenyl)-3H-quinazolin-4-one
CID 168550827
2-[3-amino-5-(3-hydroxypropyl)-1H-pyrazol-4-yl]-6-methyl-3H-quinazolin-4-one
CID 135958434
2-(4-ethoxy-2,6-difluorophenyl)-3H-quinazolin-4-one
CID 168553260
2-(3-methoxyphenyl)-3H-quinazolin-4-one
CID 135486399
2-[3-(methoxymethyl)-4-propan-2-yloxyphenyl]-3H-quinazolin-4-one
CID 168551682
2-(5-amino-1-methyl-3-propylpyrazol-4-yl)-3H-quinazolin-4-one
CID 136925309
2-(2-bromo-6-fluoro-3-methoxyphenyl)-3H-quinazolin-4-one
CID 168551002
2-[4-(3-methoxypropoxy)phenyl]-3H-quinazolin-4-one
CID 168551806
2-naphthalen-1-yl-3H-quinazolin-4-one
CID 135437423
2-[2-amino-6-(3,4,5-trimethoxyphenyl)pyrimidin-4-yl]-3H-quinazolin-4-one
CID 162668702

Frequently Asked Questions

What is the IUPAC name of 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one (CID 136925358) is 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one is COCc1[nH]nc(N)c1-c1nc2ccccc2c(=O)[nH]1.
What is the InChIKey of 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one?
The InChIKey is MTLPQCLDQHBXFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2/c1-20-6-9-10(11(14)18-17-9)12-15-8-5-3-2-4-7(8)13(19)16-12/h2-5H,6H2,1H3,(H3,14,17,18)(H,15,16,19).
What are the key properties of 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one?
2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one has a molecular weight of 271.28 g/mol, XLogP of 1.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-amino-5-(methoxymethyl)-1H-pyrazol-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 136925358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).