methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine

C10H17F3N4 — CID 145285689

IUPACmethanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
SMILESCN.FC(F)(F)C1CCNC(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3.CH5N/c10-9(11,12)6-1-3-13-8(5-6)7-2-4-14-15-7;1-2/h2,4,6,8,13H,1,3,5H2,(H,14,15);2H2,1H3
InChIKeyHRVWPBZNNFIJKY-UHFFFAOYSA-N
MW250.27 g/mol
LogP1.59
Rot. Bonds1

About methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine

methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine (PubChem CID 145285689) has the molecular formula C10H17F3N4 and a molecular weight of 250.27 g/mol. Its IUPAC name is methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine.

Molecular Properties

Compound Namemethanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
PubChem CID145285689
Molecular FormulaC10H17F3N4
Molecular Weight250.27 g/mol
Exact Mass250.14
IUPAC Namemethanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine
SMILESCN.FC(F)(F)C1CCNC(c2ccn[nH]2)C1
InChIInChI=1S/C9H12F3N3.CH5N/c10-9(11,12)6-1-3-13-8(5-6)7-2-4-14-15-7;1-2/h2,4,6,8,13H,1,3,5H2,(H,14,15);2H2,1H3
InChIKeyHRVWPBZNNFIJKY-UHFFFAOYSA-N
XLogP1.59
TPSA66.73 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.27
LogP ≤ 51.59
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-Pyrazol-5-yl)piperidine
CID 21193114
3-(1H-pyrazol-5-yl)piperidine
CID 42961301
2-(1H-pyrazol-3-yl)piperidine
CID 46737142
4-(1H-pyrazol-5-ylmethyl)piperidine
CID 75355610
2-(1H-Pyrazol-3-yl)piperazine
CID 19763614
3-(1H-pyrazol-5-yl)piperidine dihydrochloride
CID 42961300
3-[3-(propan-2-yl)-1H-pyrazol-5-yl]piperidine
CID 71695345
5-[1-(cyclohexylmethyl)pyrrolidin-2-yl]-1H-pyrazole
CID 110249240
rac-methyl((((2R,3S)-1-methyl-2-(1-methyl-1H-pyrazol-5-yl)piperidin-3-yl)methyl))amine
CID 119031225
4-(1H-pyrazol-5-ylmethyl)piperidine hydrochloride
CID 137935750
3-(4-ethyl-1H-pyrazol-5-yl)piperidine
CID 56741722
3-[5-(trifluoromethyl)-1H-pyrazol-3-yl]piperidine
CID 66509752

Frequently Asked Questions

What is the IUPAC name of methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine?
The IUPAC name of methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine (CID 145285689) is methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine.
What is the SMILES notation for methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine?
The canonical SMILES for methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine is CN.FC(F)(F)C1CCNC(c2ccn[nH]2)C1.
What is the InChIKey of methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine?
The InChIKey is HRVWPBZNNFIJKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3.CH5N/c10-9(11,12)6-1-3-13-8(5-6)7-2-4-14-15-7;1-2/h2,4,6,8,13H,1,3,5H2,(H,14,15);2H2,1H3.
What are the key properties of methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine?
methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine has a molecular weight of 250.27 g/mol, XLogP of 1.59, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methanamine;2-(1H-pyrazol-5-yl)-4-(trifluoromethyl)piperidine is sourced from PubChem (CID 145285689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).