5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine

C20H23N5 — CID 125009924

IUPAC5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
SMILESCc1cn[nH]c1[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C20H23N5/c1-15-10-23-24-19(15)18-8-5-9-25(14-18)13-16-11-21-20(22-12-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,18H,5,8-9,13-14H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyVFVOXXXNWQSWQP-SFHVURJKSA-N
MW333.44 g/mol
LogP3.55
Rot. Bonds4

About 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine

5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine (PubChem CID 125009924) has the molecular formula C20H23N5 and a molecular weight of 333.44 g/mol. Its IUPAC name is 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine.

Molecular Properties

Compound Name5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
PubChem CID125009924
Molecular FormulaC20H23N5
Molecular Weight333.44 g/mol
Exact Mass333.20
IUPAC Name5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine
SMILESCc1cn[nH]c1[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1
InChIInChI=1S/C20H23N5/c1-15-10-23-24-19(15)18-8-5-9-25(14-18)13-16-11-21-20(22-12-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,18H,5,8-9,13-14H2,1H3,(H,23,24)/t18-/m0/s1
InChIKeyVFVOXXXNWQSWQP-SFHVURJKSA-N
XLogP3.55
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine
CID 95846027
3-(4-methyl-1H-pyrazol-5-yl)-1-(2-phenylethyl)piperidine
CID 110270657
(3R)-3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 125026679
3-(4-methyl-1H-pyrazol-5-yl)-1-[(1-methylpyrrol-2-yl)methyl]piperidine
CID 110106266
(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]benzoic acid
CID 125010591
(3R)-1-(2,2-diphenylethyl)-3-(4-methyl-1H-pyrazol-5-yl)piperidine
CID 42479587
2-[[(3R)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]quinoline
CID 124973675
1-[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 95844950
N-benzyl-5-[(3S)-1-benzylpiperidin-3-yl]-N-methyl-1H-pyrazole-4-carboxamide
CID 95805298
3-(4-phenyl-1H-pyrazol-5-yl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 45248311
4-[[3-(4-benzyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyridine
CID 129132920

Frequently Asked Questions

What is the IUPAC name of 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine?
The IUPAC name of 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine (CID 125009924) is 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine.
What is the SMILES notation for 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine?
The canonical SMILES for 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine is Cc1cn[nH]c1[C@H]1CCCN(Cc2cnc(-c3ccccc3)nc2)C1.
What is the InChIKey of 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine?
The InChIKey is VFVOXXXNWQSWQP-SFHVURJKSA-N. The full InChI is InChI=1S/C20H23N5/c1-15-10-23-24-19(15)18-8-5-9-25(14-18)13-16-11-21-20(22-12-16)17-6-3-2-4-7-17/h2-4,6-7,10-12,18H,5,8-9,13-14H2,1H3,(H,23,24)/t18-/m0/s1.
What are the key properties of 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine?
5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine has a molecular weight of 333.44 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[(3S)-3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]methyl]-2-phenylpyrimidine is sourced from PubChem (CID 125009924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).