N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide

C19H19N5O — CID 70786967

IUPACN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCc1ncc2c(n1)CCC2)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H19N5O/c25-19(21-12-18-20-11-16-6-2-7-17(16)23-18)15-5-1-4-14(10-15)13-24-9-3-8-22-24/h1,3-5,8-11H,2,6-7,12-13H2,(H,21,25)
InChIKeyPVDBVXVLODECNI-UHFFFAOYSA-N
MW333.39 g/mol
LogP2.14
Rot. Bonds5

About N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide

N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide (PubChem CID 70786967) has the molecular formula C19H19N5O and a molecular weight of 333.39 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
PubChem CID70786967
Molecular FormulaC19H19N5O
Molecular Weight333.39 g/mol
Exact Mass333.16
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
SMILESO=C(NCc1ncc2c(n1)CCC2)c1cccc(Cn2cccn2)c1
InChIInChI=1S/C19H19N5O/c25-19(21-12-18-20-11-16-6-2-7-17(16)23-18)15-5-1-4-14(10-15)13-24-9-3-8-22-24/h1,3-5,8-11H,2,6-7,12-13H2,(H,21,25)
InChIKeyPVDBVXVLODECNI-UHFFFAOYSA-N
XLogP2.14
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50953115
N-(pyrazolo[1,5-a]pyridin-3-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 56909821
N-(2-phenylethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 35764030
N-[(3-methylthiophen-2-yl)methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50956025
N-[[2-[(ethylsulfonylamino)methyl]-4-pyridinyl]methyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 163312905
N-(2-propoxyethyl)-3-(pyrazol-1-ylmethyl)benzamide
CID 70772428
4-(diethylaminomethyl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55953894
3-(propylsulfonylamino)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]benzamide
CID 55954530
3,6-dichloro-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]pyridine-2-carboxamide
CID 55955040
N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]-3-(pyrazol-1-ylmethyl)benzamide
CID 19336525
N-[3-(1,3-benzoxazol-2-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 70780672
N-[2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(pyrazol-1-ylmethyl)benzamide
CID 50974491

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide (CID 70786967) is N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide is O=C(NCc1ncc2c(n1)CCC2)c1cccc(Cn2cccn2)c1.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is PVDBVXVLODECNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c25-19(21-12-18-20-11-16-6-2-7-17(16)23-18)15-5-1-4-14(10-15)13-24-9-3-8-22-24/h1,3-5,8-11H,2,6-7,12-13H2,(H,21,25).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide?
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 333.39 g/mol, XLogP of 2.14, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-3-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 70786967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).