[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

C22H27N5O — CID 95211783

IUPAC[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)cc1
InChIInChI=1S/C22H27N5O/c1-15(2)27-14-19(11-24-27)22(28)26-10-4-5-18(13-26)21-20(12-23-25-21)17-8-6-16(3)7-9-17/h6-9,11-12,14-15,18H,4-5,10,13H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyKGIODUXGBLYSGL-GOSISDBHSA-N
MW377.49 g/mol
LogP4.18
Rot. Bonds4

About [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone

[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (PubChem CID 95211783) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
PubChem CID95211783
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone
SMILESCc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)cc1
InChIInChI=1S/C22H27N5O/c1-15(2)27-14-19(11-24-27)22(28)26-10-4-5-18(13-26)21-20(12-23-25-21)17-8-6-16(3)7-9-17/h6-9,11-12,14-15,18H,4-5,10,13H2,1-3H3,(H,23,25)/t18-/m1/s1
InChIKeyKGIODUXGBLYSGL-GOSISDBHSA-N
XLogP4.18
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
(2-cyclopropylpyrimidin-5-yl)-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 95223415
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 95208493
5-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]pyridine-2-carbonitrile
CID 95188082
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 56741838
2-hydroxy-2-methyl-1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 56746262
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
(5-hydroxy-2-pyridinyl)-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methanone
CID 56740484
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 95209274
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(4-methylpyrimidin-5-yl)methanone
CID 95205309
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
1-[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidine-1-carbonyl]cyclopropane-1-carbonitrile
CID 56738196

Frequently Asked Questions

What is the IUPAC name of [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The IUPAC name of [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone (CID 95211783) is [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is Cc1ccc(-c2cn[nH]c2[C@@H]2CCCN(C(=O)c3cnn(C(C)C)c3)C2)cc1.
What is the InChIKey of [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
The InChIKey is KGIODUXGBLYSGL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15(2)27-14-19(11-24-27)22(28)26-10-4-5-18(13-26)21-20(12-23-25-21)17-8-6-16(3)7-9-17/h6-9,11-12,14-15,18H,4-5,10,13H2,1-3H3,(H,23,25)/t18-/m1/s1.
What are the key properties of [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone?
[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 4.18, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-(1-propan-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 95211783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).