4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine

C23H30N6 — CID 31016874

IUPAC4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine
SMILESCc1cc(C)n([C@@H]2CCN(C3CCN(c4cccc(-c5ccn[nH]5)c4)CC3)C2)n1
InChIInChI=1S/C23H30N6/c1-17-14-18(2)29(26-17)22-9-13-28(16-22)20-7-11-27(12-8-20)21-5-3-4-19(15-21)23-6-10-24-25-23/h3-6,10,14-15,20,22H,7-9,11-13,16H2,1-2H3,(H,24,25)/t22-/m1/s1
InChIKeyHYVLTZKZQKANKF-JOCHJYFZSA-N
MW390.54 g/mol
LogP3.81
Rot. Bonds4

About 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine

4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine (PubChem CID 31016874) has the molecular formula C23H30N6 and a molecular weight of 390.54 g/mol. Its IUPAC name is 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine.

Molecular Properties

Compound Name4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine
PubChem CID31016874
Molecular FormulaC23H30N6
Molecular Weight390.54 g/mol
Exact Mass390.25
IUPAC Name4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine
SMILESCc1cc(C)n([C@@H]2CCN(C3CCN(c4cccc(-c5ccn[nH]5)c4)CC3)C2)n1
InChIInChI=1S/C23H30N6/c1-17-14-18(2)29(26-17)22-9-13-28(16-22)20-7-11-27(12-8-20)21-5-3-4-19(15-21)23-6-10-24-25-23/h3-6,10,14-15,20,22H,7-9,11-13,16H2,1-2H3,(H,24,25)/t22-/m1/s1
InChIKeyHYVLTZKZQKANKF-JOCHJYFZSA-N
XLogP3.81
TPSA52.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.54
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(3R)-1-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]piperidine-3-carboxamide
CID 31073994
1-propan-2-yl-4-[1-[3-(1H-pyrazol-5-yl)phenyl]piperidin-4-yl]-1,4-diazepane
CID 31105427
5-(3-pyrrolidin-1-ylphenyl)-1H-pyrazole
CID 141365895
1-[3-[3-(1H-pyrazol-5-yl)phenyl]phenyl]piperazine
CID 31074314
N-[(3R)-1-[1-[3-(3-methylphenyl)phenyl]piperidin-4-yl]pyrrolidin-3-yl]acetamide
CID 30897505
2-(1-cyclopropylpyrrolidin-3-yl)-5-methylpyrazol-3-amine
CID 62977672
2-[3-[4-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)piperidin-1-yl]phenyl]-5-methyl-1,3,4-thiadiazole
CID 56855156
2-[3-[4-[(3R)-3-fluoropyrrolidin-1-yl]piperidin-1-yl]phenyl]-1-methylbenzimidazole
CID 59568380
4-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]-1H-pyrazol-5-amine
CID 68943222
2-[3-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]phenyl]-1H-indole
CID 140939131
3,5-dimethyl-1-[1-(3-methylbutan-2-yl)pyrrolidin-3-yl]pyrazole
CID 163839077
1-[1-[3-(2-methylphenyl)phenyl]piperidin-4-yl]piperidine-4-carbonitrile
CID 46988681

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine?
The IUPAC name of 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine (CID 31016874) is 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine.
What is the SMILES notation for 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine?
The canonical SMILES for 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine is Cc1cc(C)n([C@@H]2CCN(C3CCN(c4cccc(-c5ccn[nH]5)c4)CC3)C2)n1.
What is the InChIKey of 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine?
The InChIKey is HYVLTZKZQKANKF-JOCHJYFZSA-N. The full InChI is InChI=1S/C23H30N6/c1-17-14-18(2)29(26-17)22-9-13-28(16-22)20-7-11-27(12-8-20)21-5-3-4-19(15-21)23-6-10-24-25-23/h3-6,10,14-15,20,22H,7-9,11-13,16H2,1-2H3,(H,24,25)/t22-/m1/s1.
What are the key properties of 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine?
4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine has a molecular weight of 390.54 g/mol, XLogP of 3.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3R)-3-(3,5-dimethylpyrazol-1-yl)pyrrolidin-1-yl]-1-[3-(1H-pyrazol-5-yl)phenyl]piperidine is sourced from PubChem (CID 31016874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).