1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

C16H25N3 — CID 43662250

IUPAC1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCC(NCc1ccn[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N3/c1-11(17-10-15-2-3-18-19-15)16-7-12-4-13(8-16)6-14(5-12)9-16/h2-3,11-14,17H,4-10H2,1H3,(H,18,19)
InChIKeyAVXQGSVOOIPKRH-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.10
Rot. Bonds4

About 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine

1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (PubChem CID 43662250) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.

Molecular Properties

Compound Name1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
PubChem CID43662250
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine
SMILESCC(NCc1ccn[nH]1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C16H25N3/c1-11(17-10-15-2-3-18-19-15)16-7-12-4-13(8-16)6-14(5-12)9-16/h2-3,11-14,17H,4-10H2,1H3,(H,18,19)
InChIKeyAVXQGSVOOIPKRH-UHFFFAOYSA-N
XLogP3.10
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(2S)-N-(1H-pyrazol-5-ylmethyl)bicyclo[2.2.2]octan-2-amine
CID 164638732
(1R,2R)-2,4,4-trimethyl-N-[(1H-pyrazol-3-yl)methyl]cyclopentan-1-amine
CID 100637144
N-(1H-pyrazol-5-ylmethyl)-4-(trifluoromethyl)cyclohexan-1-amine
CID 43730467
N-(1H-pyrazol-5-ylmethyl)-2-(trifluoromethyl)cyclohexan-1-amine
CID 43730749
N-(1H-pyrazol-5-ylmethyl)-3-(trifluoromethyl)cyclohexan-1-amine
CID 43747488
2,2-difluoro-N-(1H-pyrazol-5-ylmethyl)spiro[2.5]octan-6-amine
CID 132324134
2-tert-butyl-4-methyl-N-(1H-pyrazol-5-ylmethyl)pentan-1-amine
CID 58808319
N-((3-(tert-butyl)-1H-pyrazol-5-yl)methyl)adamantan-1-amine
CID 89615658
3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 169242174
3-(2-methylpropyl)piperidine;3-(2-methylpropyl)-1-(1H-pyrazol-5-ylmethyl)piperidine
CID 169242185
adamantanyl-N-(pyrazol-3-ylmethyl)carboxamide
CID 4768841
N-(1H-pyrazol-5-ylmethyl)adamantan-1-amine
CID 43662241

Frequently Asked Questions

What is the IUPAC name of 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The IUPAC name of 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine (CID 43662250) is 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine.
What is the SMILES notation for 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The canonical SMILES for 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is CC(NCc1ccn[nH]1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
The InChIKey is AVXQGSVOOIPKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(17-10-15-2-3-18-19-15)16-7-12-4-13(8-16)6-14(5-12)9-16/h2-3,11-14,17H,4-10H2,1H3,(H,18,19).
What are the key properties of 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine?
1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine has a molecular weight of 259.40 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-adamantyl)-N-(1H-pyrazol-5-ylmethyl)ethanamine is sourced from PubChem (CID 43662250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).