4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

C16H20ClN5 — CID 95764355

IUPAC4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nn(C)c(Cl)c1[C@H]1CCCN1c1ncnc2c1CCC2
InChIInChI=1S/C16H20ClN5/c1-10-14(15(17)21(2)20-10)13-7-4-8-22(13)16-11-5-3-6-12(11)18-9-19-16/h9,13H,3-8H2,1-2H3/t13-/m1/s1
InChIKeyHNCBILYVLNEJDS-CYBMUJFWSA-N
MW317.82 g/mol
LogP3.00
Rot. Bonds2

About 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine

4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (PubChem CID 95764355) has the molecular formula C16H20ClN5 and a molecular weight of 317.82 g/mol. Its IUPAC name is 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.

Molecular Properties

Compound Name4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
PubChem CID95764355
Molecular FormulaC16H20ClN5
Molecular Weight317.82 g/mol
Exact Mass317.14
IUPAC Name4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
SMILESCc1nn(C)c(Cl)c1[C@H]1CCCN1c1ncnc2c1CCC2
InChIInChI=1S/C16H20ClN5/c1-10-14(15(17)21(2)20-10)13-7-4-8-22(13)16-11-5-3-6-12(11)18-9-19-16/h9,13H,3-8H2,1-2H3/t13-/m1/s1
InChIKeyHNCBILYVLNEJDS-CYBMUJFWSA-N
XLogP3.00
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.82
LogP ≤ 53.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 56778089
4-[2-(bromomethyl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80667841
9-ethyl-6-[(2R)-2-(1,3,5-trimethylpyrazol-4-yl)pyrrolidin-1-yl]purine
CID 124735733
3-[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]propan-1-ol
CID 62833346
4-(4-chloropiperidin-1-yl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 63388917
2-[[1-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)pyrrolidin-2-yl]methyl]-5,6,7,8-tetrahydrocinnolin-3-one
CID 126924991
4-[2-(2-bromoethyl)piperidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine
CID 80671545
4-[(2R)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95764357
4-[2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[3,2-d]pyrimidine
CID 71933046
4-[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]thieno[2,3-d]pyrimidine
CID 95764356
4-[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]-6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 129427639
6-methyl-4-[(2R)-2-pyridin-2-ylpyrrolidin-1-yl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 95145907

Frequently Asked Questions

What is the IUPAC name of 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The IUPAC name of 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine (CID 95764355) is 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine.
What is the SMILES notation for 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The canonical SMILES for 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is Cc1nn(C)c(Cl)c1[C@H]1CCCN1c1ncnc2c1CCC2.
What is the InChIKey of 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
The InChIKey is HNCBILYVLNEJDS-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H20ClN5/c1-10-14(15(17)21(2)20-10)13-7-4-8-22(13)16-11-5-3-6-12(11)18-9-19-16/h9,13H,3-8H2,1-2H3/t13-/m1/s1.
What are the key properties of 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine?
4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine has a molecular weight of 317.82 g/mol, XLogP of 3.00, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2R)-2-(5-chloro-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]-6,7-dihydro-5H-cyclopenta[d]pyrimidine is sourced from PubChem (CID 95764355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).