(2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine

C18H23N5 — CID 95276265

IUPAC(2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESCc1cccc(-c2[nH]ncc2CN[C@@H](C)[C@@H](C)n2cccn2)c1
InChIInChI=1S/C18H23N5/c1-13-6-4-7-16(10-13)18-17(12-20-22-18)11-19-14(2)15(3)23-9-5-8-21-23/h4-10,12,14-15,19H,11H2,1-3H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyFZNBUMQHKSPRAQ-LSDHHAIUSA-N
MW309.42 g/mol
LogP3.32
Rot. Bonds6

About (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine

(2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine (PubChem CID 95276265) has the molecular formula C18H23N5 and a molecular weight of 309.42 g/mol. Its IUPAC name is (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine.

Molecular Properties

Compound Name(2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
PubChem CID95276265
Molecular FormulaC18H23N5
Molecular Weight309.42 g/mol
Exact Mass309.20
IUPAC Name(2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
SMILESCc1cccc(-c2[nH]ncc2CN[C@@H](C)[C@@H](C)n2cccn2)c1
InChIInChI=1S/C18H23N5/c1-13-6-4-7-16(10-13)18-17(12-20-22-18)11-19-14(2)15(3)23-9-5-8-21-23/h4-10,12,14-15,19H,11H2,1-3H3,(H,20,22)/t14-,15+/m0/s1
InChIKeyFZNBUMQHKSPRAQ-LSDHHAIUSA-N
XLogP3.32
TPSA58.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.42
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R,3S)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95276405
(2S,3R)-N-[[5-(3-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95277535
(2S,3S)-3-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 95286276
(2R,3R)-N-[(2-methyl-3-pyridinyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95274249
(2S,3R)-3-(4-methylpyrazol-1-yl)-N-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methyl]butan-2-amine
CID 95288392
(2R,3S)-N-[(5-fluoro-2-methoxyphenyl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759601
(2S,3S)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]-3-pyrazol-1-ylbutan-2-amine
CID 95759596
(2R)-1-(4-methylpyrazol-1-yl)-N-[(5-phenyl-1H-pyrazol-4-yl)methyl]propan-2-amine
CID 95293127
N-[[5-(3,4-dimethylphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484672
N-[[5-(3-ethoxyphenyl)-1H-pyrazol-4-yl]methyl]propan-2-amine
CID 79484999
(2S,3S)-N-(1,3-benzodioxol-4-ylmethyl)-3-pyrazol-1-ylbutan-2-amine
CID 95276384
4-methyl-5-(3-methylphenyl)-1H-pyrazole
CID 54111991

Frequently Asked Questions

What is the IUPAC name of (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine?
The IUPAC name of (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine (CID 95276265) is (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine.
What is the SMILES notation for (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine?
The canonical SMILES for (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine is Cc1cccc(-c2[nH]ncc2CN[C@@H](C)[C@@H](C)n2cccn2)c1.
What is the InChIKey of (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine?
The InChIKey is FZNBUMQHKSPRAQ-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H23N5/c1-13-6-4-7-16(10-13)18-17(12-20-22-18)11-19-14(2)15(3)23-9-5-8-21-23/h4-10,12,14-15,19H,11H2,1-3H3,(H,20,22)/t14-,15+/m0/s1.
What are the key properties of (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine?
(2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine has a molecular weight of 309.42 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3R)-N-[[5-(3-methylphenyl)-1H-pyrazol-4-yl]methyl]-3-pyrazol-1-ylbutan-2-amine is sourced from PubChem (CID 95276265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).