(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine

C15H22N4 — CID 78978020

IUPAC(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1cnn(C(C)(C)C)c1)c1ccccn1
InChIInChI=1S/C15H22N4/c1-12(14-7-5-6-8-16-14)17-9-13-10-18-19(11-13)15(2,3)4/h5-8,10-12,17H,9H2,1-4H3/t12-/m0/s1
InChIKeyNTJWMFXXSMLWAZ-LBPRGKRZSA-N
MW258.37 g/mol
LogP2.88
Rot. Bonds4

About (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine

(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 78978020) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID78978020
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC Name(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESC[C@H](NCc1cnn(C(C)(C)C)c1)c1ccccn1
InChIInChI=1S/C15H22N4/c1-12(14-7-5-6-8-16-14)17-9-13-10-18-19(11-13)15(2,3)4/h5-8,10-12,17H,9H2,1-4H3/t12-/m0/s1
InChIKeyNTJWMFXXSMLWAZ-LBPRGKRZSA-N
XLogP2.88
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
(1S)-N-[[1-(4-chlorophenyl)pyrazol-4-yl]methyl]-1-pyridin-2-ylethanamine
CID 94193067
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methylphenyl)ethanamine
CID 60946182
(1R)-1-pyridin-2-yl-N-(pyrimidin-5-ylmethyl)ethanamine
CID 81402120
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-methoxyphenyl)ethanamine
CID 81367241
(1R)-1-pyridin-2-yl-N-(pyrimidin-2-ylmethyl)ethanamine
CID 81407076
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(3,4-difluorophenyl)ethanamine
CID 93291145
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115660312
N-[(1-tert-butylpyrazol-4-yl)methyl]-1-(4-chlorophenyl)propan-2-amine
CID 43779764
(1R)-N-[(1-propylpyrrol-3-yl)methyl]-1-pyridin-2-ylethanamine
CID 81401978

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine (CID 78978020) is (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine is C[C@H](NCc1cnn(C(C)(C)C)c1)c1ccccn1.
What is the InChIKey of (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is NTJWMFXXSMLWAZ-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H22N4/c1-12(14-7-5-6-8-16-14)17-9-13-10-18-19(11-13)15(2,3)4/h5-8,10-12,17H,9H2,1-4H3/t12-/m0/s1.
What are the key properties of (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 258.37 g/mol, XLogP of 2.88, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 78978020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).