4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline

C14H14N4 — CID 134380338

IUPAC4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline
SMILESCC(C)c1nc(-c2ccn[nH]2)nc2ccccc12
InChIInChI=1S/C14H14N4/c1-9(2)13-10-5-3-4-6-11(10)16-14(17-13)12-7-8-15-18-12/h3-9H,1-2H3,(H,15,18)
InChIKeyNIXMSZLLEPXYTA-UHFFFAOYSA-N
MW238.29 g/mol
LogP3.14
Rot. Bonds2

About 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline

4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline (PubChem CID 134380338) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline.

Molecular Properties

Compound Name4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline
PubChem CID134380338
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline
SMILESCC(C)c1nc(-c2ccn[nH]2)nc2ccccc12
InChIInChI=1S/C14H14N4/c1-9(2)13-10-5-3-4-6-11(10)16-14(17-13)12-7-8-15-18-12/h3-9H,1-2H3,(H,15,18)
InChIKeyNIXMSZLLEPXYTA-UHFFFAOYSA-N
XLogP3.14
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-methyl-1H-pyrazol-3-yl)-4-propan-2-ylquinazoline
CID 123724803
4-chloro-2-(1H-pyrazol-5-yl)quinoline
CID 167779045
1-(1H-pyrazol-5-yl)acridine
CID 141081255
5-naphthalen-1-yl-1H-pyrazole
CID 174464397
5-naphthalen-1-yl-1H-pyrazole
CID 2737035
(2-phenylquinazolin-4-yl)-pyridin-2-ylmethanamine
CID 66893083
6,7-dimethyl-4-propan-2-yl-2-pyridin-2-ylquinazoline
CID 165007028
(4-methoxyphenyl)-(2-phenylquinazolin-4-yl)methanamine
CID 68516638
2-methyl-3-(1H-pyrazol-5-yl)quinoline
CID 72698950
5-(1-methoxynaphthalen-2-yl)-1H-pyrazole
CID 10376338
2-phenyl-N-propan-2-ylquinazolin-4-amine
CID 719252
9-(1-acridin-9-ylethyl)acridine
CID 118649577

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline?
The IUPAC name of 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline (CID 134380338) is 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline.
What is the SMILES notation for 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline?
The canonical SMILES for 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline is CC(C)c1nc(-c2ccn[nH]2)nc2ccccc12.
What is the InChIKey of 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline?
The InChIKey is NIXMSZLLEPXYTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-9(2)13-10-5-3-4-6-11(10)16-14(17-13)12-7-8-15-18-12/h3-9H,1-2H3,(H,15,18).
What are the key properties of 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline?
4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline has a molecular weight of 238.29 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(1H-pyrazol-5-yl)quinazoline is sourced from PubChem (CID 134380338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).