4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline

C15H18ClN5 — CID 154580618

IUPAC4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESClc1cnn(CC2CN(c3ncnc4c3CCCC4)C2)c1
InChIInChI=1S/C15H18ClN5/c16-12-5-19-21(9-12)8-11-6-20(7-11)15-13-3-1-2-4-14(13)17-10-18-15/h5,9-11H,1-4,6-8H2
InChIKeyULFRPDQKWYNMMQ-UHFFFAOYSA-N
MW303.80 g/mol
LogP2.34
Rot. Bonds3

About 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline

4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline (PubChem CID 154580618) has the molecular formula C15H18ClN5 and a molecular weight of 303.80 g/mol. Its IUPAC name is 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline.

Molecular Properties

Compound Name4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
PubChem CID154580618
Molecular FormulaC15H18ClN5
Molecular Weight303.80 g/mol
Exact Mass303.13
IUPAC Name4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
SMILESClc1cnn(CC2CN(c3ncnc4c3CCCC4)C2)c1
InChIInChI=1S/C15H18ClN5/c16-12-5-19-21(9-12)8-11-6-20(7-11)15-13-3-1-2-4-14(13)17-10-18-15/h5,9-11H,1-4,6-8H2
InChIKeyULFRPDQKWYNMMQ-UHFFFAOYSA-N
XLogP2.34
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.80
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-6-ethylpyrimidine
CID 154580696
4-[3-[(2-propan-2-ylimidazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 163351002
2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5-methyl-1,3-thiazole
CID 154583035
4-[4-(bromomethyl)piperidin-1-yl]-5,6,7,8-tetrahydroquinazoline
CID 80669482
[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 62831697
6-tert-butyl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126927995
4-(2-methyl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 121185306
2-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-4-(trifluoromethyl)pyrimidine
CID 154580652
6-pyridin-3-yl-2-[[1-(5,6,7,8-tetrahydroquinazolin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929526
6-pyridin-3-yl-2-[[1-(6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-4-yl)azetidin-3-yl]methyl]pyridazin-3-one
CID 126929525
1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-4-amine;dihydrochloride
CID 171689379
1-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)azetidin-3-yl]pyrazole-4-carboxamide
CID 126901107

Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The IUPAC name of 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline (CID 154580618) is 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline.
What is the SMILES notation for 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The canonical SMILES for 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline is Clc1cnn(CC2CN(c3ncnc4c3CCCC4)C2)c1.
What is the InChIKey of 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
The InChIKey is ULFRPDQKWYNMMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN5/c16-12-5-19-21(9-12)8-11-6-20(7-11)15-13-3-1-2-4-14(13)17-10-18-15/h5,9-11H,1-4,6-8H2.
What are the key properties of 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline?
4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline has a molecular weight of 303.80 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-chloropyrazol-1-yl)methyl]azetidin-1-yl]-5,6,7,8-tetrahydroquinazoline is sourced from PubChem (CID 154580618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).