(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

C15H25N5 — CID 95275074

IUPAC(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1cnn(C(C)(C)C)c1)[C@@H](C)n1cccn1
InChIInChI=1S/C15H25N5/c1-12(13(2)19-8-6-7-17-19)16-9-14-10-18-20(11-14)15(3,4)5/h6-8,10-13,16H,9H2,1-5H3/t12-,13+/m0/s1
InChIKeyVNTBQQZYUOHRSL-QWHCGFSZSA-N
MW275.40 g/mol
LogP2.57
Rot. Bonds5

About (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine

(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95275074) has the molecular formula C15H25N5 and a molecular weight of 275.40 g/mol. Its IUPAC name is (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95275074
Molecular FormulaC15H25N5
Molecular Weight275.40 g/mol
Exact Mass275.21
IUPAC Name(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H](NCc1cnn(C(C)(C)C)c1)[C@@H](C)n1cccn1
InChIInChI=1S/C15H25N5/c1-12(13(2)19-8-6-7-17-19)16-9-14-10-18-20(11-14)15(3,4)5/h6-8,10-13,16H,9H2,1-5H3/t12-,13+/m0/s1
InChIKeyVNTBQQZYUOHRSL-QWHCGFSZSA-N
XLogP2.57
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine with MolForge

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Related Compounds

(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276955
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
N-[(1-tert-butylpyrazol-4-yl)methyl]but-3-en-2-amine
CID 115691049
N-[(1-tert-butylpyrazol-4-yl)methyl]pentan-2-amine
CID 43757996
(1S)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 78978020
(1R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-1-pyridin-2-ylethanamine
CID 81402195
(2S,3R)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95348592
N-[(1-tert-butylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 43769272
N-[(1-tert-butylpyrazol-4-yl)methyl]pent-4-yn-2-amine
CID 115660312
N-[(1-tert-butylpyrazol-4-yl)methyl]-4-methylsulfinylbutan-2-amine
CID 115688222
N-[(1-tert-butylpyrazol-4-yl)methyl]pyrrol-1-amine
CID 79090306
N-[(1-tert-butylpyrazol-4-yl)methyl]heptan-2-amine
CID 43778077

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95275074) is (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is C[C@H](NCc1cnn(C(C)(C)C)c1)[C@@H](C)n1cccn1.
What is the InChIKey of (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is VNTBQQZYUOHRSL-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H25N5/c1-12(13(2)19-8-6-7-17-19)16-9-14-10-18-20(11-14)15(3,4)5/h6-8,10-13,16H,9H2,1-5H3/t12-,13+/m0/s1.
What are the key properties of (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 275.40 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95275074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).