4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide

C21H23ClN4O — CID 121318861

IUPAC4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C21H23ClN4O/c1-14(25-21(27)17-6-8-18(22)9-7-17)15-2-4-16(5-3-15)19-10-12-23-20-11-13-24-26(19)20/h6-16H,2-5H2,1H3,(H,25,27)
InChIKeyNSTMGSJDPPDXHR-UHFFFAOYSA-N
MW382.90 g/mol
LogP4.47
Rot. Bonds4

About 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide

4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide (PubChem CID 121318861) has the molecular formula C21H23ClN4O and a molecular weight of 382.90 g/mol. Its IUPAC name is 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide
PubChem CID121318861
Molecular FormulaC21H23ClN4O
Molecular Weight382.90 g/mol
Exact Mass382.16
IUPAC Name4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide
SMILESCC(NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccnn23)CC1
InChIInChI=1S/C21H23ClN4O/c1-14(25-21(27)17-6-8-18(22)9-7-17)15-2-4-16(5-3-15)19-10-12-23-20-11-13-24-26(19)20/h6-16H,2-5H2,1H3,(H,25,27)
InChIKeyNSTMGSJDPPDXHR-UHFFFAOYSA-N
XLogP4.47
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.90
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[1-[4-[6-(trifluoromethyl)quinolin-4-yl]oxycyclohexyl]ethyl]benzamide
CID 126703080
5,6-dichloro-N-(1-cyclopropylethyl)pyridine-3-carboxamide
CID 22830772
4-chloro-N-propan-2-ylbenzamide
CID 24045
2-bromo-N-(1-cyclopropylethyl)furan-3-carboxamide
CID 106852619
1-cyclopropyl-N-(pyrazolo[1,5-a]pyrimidin-7-ylmethyl)ethanamine
CID 115976238
6-chloro-N-[1-(oxan-4-yl)ethyl]pyridine-3-carboxamide
CID 103769200
5-chloro-N-(1-cyclopropylethyl)-2-hydroxybenzamide
CID 43401499
3-chloro-N-(1-cyclopropylethyl)-4-hydroxybenzamide
CID 42919481
3-[(4-chlorobenzoyl)amino]-3-cyclopropylpropanoic acid
CID 81362129
N-[(1R)-1-[4-(6-fluoroquinolin-4-yl)cyclohexyl]ethyl]pyridine-4-carboxamide
CID 146470800
N-(1-cyclopropylethyl)-2,3-difluoropyridine-4-carboxamide
CID 105380375
3-amino-4-chloro-N-(1-cyclopropylethyl)benzamide
CID 43533105

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide?
The IUPAC name of 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide (CID 121318861) is 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide?
The canonical SMILES for 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide is CC(NC(=O)c1ccc(Cl)cc1)C1CCC(c2ccnc3ccnn23)CC1.
What is the InChIKey of 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide?
The InChIKey is NSTMGSJDPPDXHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O/c1-14(25-21(27)17-6-8-18(22)9-7-17)15-2-4-16(5-3-15)19-10-12-23-20-11-13-24-26(19)20/h6-16H,2-5H2,1H3,(H,25,27).
What are the key properties of 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide?
4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide has a molecular weight of 382.90 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-(4-pyrazolo[1,5-a]pyrimidin-7-ylcyclohexyl)ethyl]benzamide is sourced from PubChem (CID 121318861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).