(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine

C15H22N4 — CID 125026679

IUPAC(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(Cc2cccn2C)C1
InChIInChI=1S/C15H22N4/c1-12-9-16-17-15(12)13-5-3-8-19(10-13)11-14-6-4-7-18(14)2/h4,6-7,9,13H,3,5,8,10-11H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyZVLBDGVHJKFUBZ-CYBMUJFWSA-N
MW258.37 g/mol
LogP2.44
Rot. Bonds3

About (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine

(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine (PubChem CID 125026679) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine.

Molecular Properties

Compound Name(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
PubChem CID125026679
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
SMILESCc1cn[nH]c1[C@@H]1CCCN(Cc2cccn2C)C1
InChIInChI=1S/C15H22N4/c1-12-9-16-17-15(12)13-5-3-8-19(10-13)11-14-6-4-7-18(14)2/h4,6-7,9,13H,3,5,8,10-11H2,1-2H3,(H,16,17)/t13-/m1/s1
InChIKeyZVLBDGVHJKFUBZ-CYBMUJFWSA-N
XLogP2.44
TPSA36.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
CID 125009924
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 95846027
(3R)-1-[(4-methoxyphenyl)methyl]-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 95844793
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124973675
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 125010591
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
2-[2-[[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyrrol-1-yl]pyridine
CID 29208732
(3R)-1-[(1-methylpyrrol-2-yl)methyl]-3-[(4-methylsulfonyl-1H-pyrazol-5-yl)methyl]piperidine
CID 125022959
[(3S)-1-[(1-methylpyrrol-2-yl)methyl]piperidin-3-yl]methanol
CID 95857163
2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110254279

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine?
The IUPAC name of (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine (CID 125026679) is (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine.
What is the SMILES notation for (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine?
The canonical SMILES for (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine is Cc1cn[nH]c1[C@@H]1CCCN(Cc2cccn2C)C1.
What is the InChIKey of (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine?
The InChIKey is ZVLBDGVHJKFUBZ-CYBMUJFWSA-N. The full InChI is InChI=1S/C15H22N4/c1-12-9-16-17-15(12)13-5-3-8-19(10-13)11-14-6-4-7-18(14)2/h4,6-7,9,13H,3,5,8,10-11H2,1-2H3,(H,16,17)/t13-/m1/s1.
What are the key properties of (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine?
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine has a molecular weight of 258.37 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine is sourced from PubChem (CID 125026679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).