N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide

C22H25N5O — CID 50953115

IUPACN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1nc(CCNC(=O)c2cccc(Cn3cccn3)c2)nc2c1CCCC2
InChIInChI=1S/C22H25N5O/c1-16-19-8-2-3-9-20(19)26-21(25-16)10-12-23-22(28)18-7-4-6-17(14-18)15-27-13-5-11-24-27/h4-7,11,13-14H,2-3,8-10,12,15H2,1H3,(H,23,28)
InChIKeyOPVCYDPELMWJRU-UHFFFAOYSA-N
MW375.48 g/mol
LogP2.88
Rot. Bonds6

About N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide

N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 50953115) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID50953115
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC NameN-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
SMILESCc1nc(CCNC(=O)c2cccc(Cn3cccn3)c2)nc2c1CCCC2
InChIInChI=1S/C22H25N5O/c1-16-19-8-2-3-9-20(19)26-21(25-16)10-12-23-22(28)18-7-4-6-17(14-18)15-27-13-5-11-24-27/h4-7,11,13-14H,2-3,8-10,12,15H2,1H3,(H,23,28)
InChIKeyOPVCYDPELMWJRU-UHFFFAOYSA-N
XLogP2.88
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70786967
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
5-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 29028743
N-[3-(2-amino-1,3-thiazol-4-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70742800
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70780672
N'-[1-(4-methoxyphenyl)ethenyl]-3-(pyrazol-1-ylmethyl)benzohydrazide
CID 3667212
1-methyl-N-propyl-4-[[3-(pyrazol-1-ylmethyl)benzoyl]amino]pyrazole-5-carboxamide
CID 19396361
N-[(6-methyl-2-pyridinyl)methylideneamino]-3-(pyrazol-1-ylmethyl)benzamide
CID 724913
2-ethyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 156584807

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide (CID 50953115) is N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide is Cc1nc(CCNC(=O)c2cccc(Cn3cccn3)c2)nc2c1CCCC2.
What is the InChIKey of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is OPVCYDPELMWJRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-19-8-2-3-9-20(19)26-21(25-16)10-12-23-22(28)18-7-4-6-17(14-18)15-27-13-5-11-24-27/h4-7,11,13-14H,2-3,8-10,12,15H2,1H3,(H,23,28).
What are the key properties of N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide?
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 375.48 g/mol, XLogP of 2.88, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 50953115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).