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

C17H21N5 — CID 95276955

IUPAC(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H]([C@@H](C)NCc1cnn(-c2ccccc2)c1)n1cccn1
InChIInChI=1S/C17H21N5/c1-14(15(2)21-10-6-9-19-21)18-11-16-12-20-22(13-16)17-7-4-3-5-8-17/h3-10,12-15,18H,11H2,1-2H3/t14-,15-/m1/s1
InChIKeyOILHUZGWZSVGEE-HUUCEWRRSA-N
MW295.39 g/mol
LogP2.81
Rot. Bonds6

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

(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95276955) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95276955
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESC[C@H]([C@@H](C)NCc1cnn(-c2ccccc2)c1)n1cccn1
InChIInChI=1S/C17H21N5/c1-14(15(2)21-10-6-9-19-21)18-11-16-12-20-22(13-16)17-7-4-3-5-8-17/h3-10,12-15,18H,11H2,1-2H3/t14-,15-/m1/s1
InChIKeyOILHUZGWZSVGEE-HUUCEWRRSA-N
XLogP2.81
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1-phenylpyrazol-4-yl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 51683973
(2S,3R)-N-[(1-tert-butylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95275074
(2S,3S)-3-pyrazol-1-yl-N-(pyridin-4-ylmethyl)butan-2-amine
CID 95277106
(2S)-3-methyl-2-[(1-phenylpyrazol-4-yl)methylamino]butanoic acid
CID 120510466
N-[(1-phenylpyrazol-4-yl)methyl]hexan-2-amine
CID 62196925
(2R,3S)-N-(2-phenylethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95346375
(1S)-1-cyclopentyl-N-[(1-phenylpyrazol-4-yl)methyl]ethanamine
CID 81385943
4-methylsulfanyl-N-[(1-phenylpyrazol-4-yl)methyl]butan-2-amine
CID 115640103
(2S,3R)-N-[(2-phenyl-1,3-thiazol-5-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95281606
(2R,3S)-3-pyrazol-1-yl-N-(pyridin-2-ylmethyl)butan-2-amine
CID 95274019
1-N,1-N,4-trimethyl-2-N-[(1-phenylpyrazol-4-yl)methyl]pentane-1,2-diamine
CID 119122223
2-[[[(2S,3R)-3-pyrazol-1-ylbutan-2-yl]amino]methyl]indolizine-1-carbonitrile
CID 95759744

Frequently Asked Questions

What is the IUPAC name of (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95276955) is (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is C[C@H]([C@@H](C)NCc1cnn(-c2ccccc2)c1)n1cccn1.
What is the InChIKey of (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is OILHUZGWZSVGEE-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H21N5/c1-14(15(2)21-10-6-9-19-21)18-11-16-12-20-22(13-16)17-7-4-3-5-8-17/h3-10,12-15,18H,11H2,1-2H3/t14-,15-/m1/s1.
What are the key properties of (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine?
(2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.81, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95276955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).