(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine

C17H21N5 — CID 95293127

IUPAC(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2cn[nH]c2-c2ccccc2)c1
InChIInChI=1S/C17H21N5/c1-13-8-20-22(11-13)12-14(2)18-9-16-10-19-21-17(16)15-6-4-3-5-7-15/h3-8,10-11,14,18H,9,12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyGOKCXWUVIKFFIW-CQSZACIVSA-N
MW295.39 g/mol
LogP2.76
Rot. Bonds6

About (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine

(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine (PubChem CID 95293127) has the molecular formula C17H21N5 and a molecular weight of 295.39 g/mol. Its IUPAC name is (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
PubChem CID95293127
Molecular FormulaC17H21N5
Molecular Weight295.39 g/mol
Exact Mass295.18
IUPAC Name(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
SMILESCc1cnn(C[C@@H](C)NCc2cn[nH]c2-c2ccccc2)c1
InChIInChI=1S/C17H21N5/c1-13-8-20-22(11-13)12-14(2)18-9-16-10-19-21-17(16)15-6-4-3-5-7-15/h3-8,10-11,14,18H,9,12H2,1-2H3,(H,19,21)/t14-/m1/s1
InChIKeyGOKCXWUVIKFFIW-CQSZACIVSA-N
XLogP2.76
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-[[5-(5-methylfuran-2-yl)-1H-pyrazol-4-yl]methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290669
(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 95286276
(2S)-1-(4-methylpyrazol-1-yl)-N-[(2-methylquinolin-4-yl)methyl]propan-2-amine
CID 95289221
1-[(2S)-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propyl]pyrrolidin-2-one
CID 94184899
(2R,3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276405
(2R)-1-(4-methylpyrazol-1-yl)-N-[(3-methylquinoxalin-2-yl)methyl]propan-2-amine
CID 95757700
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290591
(1S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 81395317
1-[(5-phenyl-1H-pyrazol-4-yl)methylamino]propan-2-ol
CID 3969875
(2R)-N-[(5-methylfuran-2-yl)methyl]-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95287009
methyl (2S)-3-methyl-2-[(5-phenyl-1H-pyrazol-4-yl)methylamino]butanoate
CID 61142712
(2S)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95750404

Frequently Asked Questions

What is the IUPAC name of (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The IUPAC name of (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine (CID 95293127) is (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine.
What is the SMILES notation for (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The canonical SMILES for (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine is Cc1cnn(C[C@@H](C)NCc2cn[nH]c2-c2ccccc2)c1.
What is the InChIKey of (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
The InChIKey is GOKCXWUVIKFFIW-CQSZACIVSA-N. The full InChI is InChI=1S/C17H21N5/c1-13-8-20-22(11-13)12-14(2)18-9-16-10-19-21-17(16)15-6-4-3-5-7-15/h3-8,10-11,14,18H,9,12H2,1-2H3,(H,19,21)/t14-/m1/s1.
What are the key properties of (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine?
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine has a molecular weight of 295.39 g/mol, XLogP of 2.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine is sourced from PubChem (CID 95293127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).