[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

C17H23N5O — CID 95603260

IUPAC[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCc1cnn(C[C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C17H23N5O/c1-12-9-18-21(10-12)11-13-5-2-3-8-22(13)17(23)16-14-6-4-7-15(14)19-20-16/h9-10,13H,2-8,11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyCBTMQBMLCNLLPT-CYBMUJFWSA-N
MW313.40 g/mol
LogP2.10
Rot. Bonds3

About [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone

[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (PubChem CID 95603260) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
PubChem CID95603260
Molecular FormulaC17H23N5O
Molecular Weight313.40 g/mol
Exact Mass313.19
IUPAC Name[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
SMILESCc1cnn(C[C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)c1
InChIInChI=1S/C17H23N5O/c1-12-9-18-21(10-12)11-13-5-2-3-8-22(13)17(23)16-14-6-4-7-15(14)19-20-16/h9-10,13H,2-8,11H2,1H3,(H,19,20)/t13-/m1/s1
InChIKeyCBTMQBMLCNLLPT-CYBMUJFWSA-N
XLogP2.10
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone 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

[(2R)-2-[(3,5-dimethylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95766705
[5-(2-methylpropyl)-1H-pyrazol-3-yl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603251
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(2-methyl-1,3-thiazol-4-yl)methanone
CID 95603369
[6-(dimethylamino)-3-pyridinyl]-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]methanone
CID 95603215
[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95752169
2-cyclopentyloxy-1-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]ethanone
CID 95603267
[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 95605583
2-[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidine-1-carbonyl]thiophene-3-carbonitrile
CID 95603426
[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56779403
(3-aminopyrazin-2-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95607677
2H-benzotriazol-5-yl-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95349539
[2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(oxolan-2-yl)methanone
CID 56779011

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone (CID 95603260) is [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is Cc1cnn(C[C@H]2CCCCN2C(=O)c2n[nH]c3c2CCC3)c1.
What is the InChIKey of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
The InChIKey is CBTMQBMLCNLLPT-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H23N5O/c1-12-9-18-21(10-12)11-13-5-2-3-8-22(13)17(23)16-14-6-4-7-15(14)19-20-16/h9-10,13H,2-8,11H2,1H3,(H,19,20)/t13-/m1/s1.
What are the key properties of [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone?
[(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone has a molecular weight of 313.40 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(4-methylpyrazol-1-yl)methyl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone is sourced from PubChem (CID 95603260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).