(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine

C10H19N3 — CID 51893143

IUPAC(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine
SMILESCc1nn(C(C)(C)C)cc1[C@@H](C)N
InChIInChI=1S/C10H19N3/c1-7(11)9-6-13(10(3,4)5)12-8(9)2/h6-7H,11H2,1-5H3/t7-/m1/s1
InChIKeyFQUDDGOENFKEQS-SSDOTTSWSA-N
MW181.28 g/mol
LogP1.97
Rot. Bonds1

About (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine

(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine (PubChem CID 51893143) has the molecular formula C10H19N3 and a molecular weight of 181.28 g/mol. Its IUPAC name is (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine
PubChem CID51893143
Molecular FormulaC10H19N3
Molecular Weight181.28 g/mol
Exact Mass181.16
IUPAC Name(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine
SMILESCc1nn(C(C)(C)C)cc1[C@@H](C)N
InChIInChI=1S/C10H19N3/c1-7(11)9-6-13(10(3,4)5)12-8(9)2/h6-7H,11H2,1-5H3/t7-/m1/s1
InChIKeyFQUDDGOENFKEQS-SSDOTTSWSA-N
XLogP1.97
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-tert-butyl-3-methyl-4-propan-2-ylpyrazole
CID 126758593
2-methyl-2-(3-methyl-4-propan-2-ylpyrazol-1-yl)propanamide
CID 155022173
3-[[(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]amino]-2,2-dimethylpropanamide
CID 99777362
1-(1-ethyl-3-methylpyrazol-4-yl)ethanamine;dihydrochloride
CID 90482954
1-tert-butyl-3-chloro-4-propan-2-ylpyrazole
CID 126758588
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-6-piperidin-1-ylpyrimidin-4-amine
CID 133477612
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-chloropyridin-2-amine
CID 133477273
5-bromo-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]pyrimidin-4-amine
CID 154736177
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]tetrazolo[1,5-b]pyridazin-6-amine
CID 133477552
N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-fluoro-1,3-benzoxazol-2-amine
CID 133477464
5-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethylcarbamoyl]furan-2-carboxylic acid
CID 120550634
2-N-[1-(1-tert-butyl-3-methylpyrazol-4-yl)ethyl]-5-nitropyrimidine-2,4-diamine
CID 133477506

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine?
The IUPAC name of (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine (CID 51893143) is (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine is Cc1nn(C(C)(C)C)cc1[C@@H](C)N.
What is the InChIKey of (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine?
The InChIKey is FQUDDGOENFKEQS-SSDOTTSWSA-N. The full InChI is InChI=1S/C10H19N3/c1-7(11)9-6-13(10(3,4)5)12-8(9)2/h6-7H,11H2,1-5H3/t7-/m1/s1.
What are the key properties of (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine?
(1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine has a molecular weight of 181.28 g/mol, XLogP of 1.97, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(1-tert-butyl-3-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 51893143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).