2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine

C19H22N6 — CID 95197091

IUPAC2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3nccc(N)n3)C2)cc1
InChIInChI=1S/C19H22N6/c1-13-4-6-14(7-5-13)16-11-22-24-18(16)15-3-2-10-25(12-15)19-21-9-8-17(20)23-19/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,24)(H2,20,21,23)/t15-/m0/s1
InChIKeyYTDYVORNAVTVDH-HNNXBMFYSA-N
MW334.43 g/mol
LogP3.14
Rot. Bonds3

About 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine

2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine (PubChem CID 95197091) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
PubChem CID95197091
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC Name2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine
SMILESCc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3nccc(N)n3)C2)cc1
InChIInChI=1S/C19H22N6/c1-13-4-6-14(7-5-13)16-11-22-24-18(16)15-3-2-10-25(12-15)19-21-9-8-17(20)23-19/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,24)(H2,20,21,23)/t15-/m0/s1
InChIKeyYTDYVORNAVTVDH-HNNXBMFYSA-N
XLogP3.14
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95225385
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95223986
N-cyclopropyl-2-[(3R)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-4-carboxamide
CID 95216572
3-[[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]methyl]pyridin-2-amine
CID 70747126
2-(4-methylphenyl)-1-[3-[4-(2-pyrrolidin-1-ylpyrimidin-4-yl)-1H-pyrazol-5-yl]piperidin-1-yl]ethanone
CID 110224791
(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]-1-(2-methylpropyl)piperidine
CID 29256573
2-[3-(4-methyl-1H-pyrazol-5-yl)piperidin-1-yl]pyrimidine
CID 110254279
[3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-4-ylmethanone
CID 56748606
2-amino-2-methyl-1-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]propan-1-one
CID 95196951
[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 95221804
[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

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine (CID 95197091) is 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine is Cc1ccc(-c2cn[nH]c2[C@H]2CCCN(c3nccc(N)n3)C2)cc1.
What is the InChIKey of 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is YTDYVORNAVTVDH-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H22N6/c1-13-4-6-14(7-5-13)16-11-22-24-18(16)15-3-2-10-25(12-15)19-21-9-8-17(20)23-19/h4-9,11,15H,2-3,10,12H2,1H3,(H,22,24)(H2,20,21,23)/t15-/m0/s1.
What are the key properties of 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine?
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 334.43 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 95197091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).