(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine

C15H20N4 — CID 141145994

IUPAC(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(c2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C15H20N4/c1-17(2)15-8-11-18(12-15)13-4-6-14(7-5-13)19-10-3-9-16-19/h3-7,9-10,15H,8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyUFIPTOVYRSHWPY-HNNXBMFYSA-N
MW256.35 g/mol
LogP2.01
Rot. Bonds3

About (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine

(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine (PubChem CID 141145994) has the molecular formula C15H20N4 and a molecular weight of 256.35 g/mol. Its IUPAC name is (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine.

Molecular Properties

Compound Name(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine
PubChem CID141145994
Molecular FormulaC15H20N4
Molecular Weight256.35 g/mol
Exact Mass256.17
IUPAC Name(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine
SMILESCN(C)[C@H]1CCN(c2ccc(-n3cccn3)cc2)C1
InChIInChI=1S/C15H20N4/c1-17(2)15-8-11-18(12-15)13-4-6-14(7-5-13)19-10-3-9-16-19/h3-7,9-10,15H,8,11-12H2,1-2H3/t15-/m0/s1
InChIKeyUFIPTOVYRSHWPY-HNNXBMFYSA-N
XLogP2.01
TPSA24.30 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

4-(1H-Pyrazol-1-yl)aniline
CID 594274
1-Phenyl-1H-pyrazol-4-amine
CID 121021
1-Phenyl-3-propyl-pyrazole
CID 57320331
1-Phenylpyrazole
CID 70769
4-Bromo-1-phenyl-1H-pyrazole
CID 786811
methyl((1-phenyl-1H-pyrazol-4-yl)methyl)amine
CID 7131170
3-methyl-1-phenyl-1H-pyrazole
CID 70783
2-(1H-pyrazol-1-yl)aniline
CID 2779710
1-Phenyl-4-[(1-phenyl-1H-pyrazol-4-yl)methyl]piperazine
CID 10403608
1-((3-methyl-1-phenyl-1H-pyrazol-4-yl)methyl)-4-phenylpiperazine
CID 44412182
1-(4-fluorophenyl)-1H-pyrazole
CID 19937184
3-(1H-pyrazol-1-yl)aniline
CID 21669713

Frequently Asked Questions

What is the IUPAC name of (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine?
The IUPAC name of (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine (CID 141145994) is (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine.
What is the SMILES notation for (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine?
The canonical SMILES for (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine is CN(C)[C@H]1CCN(c2ccc(-n3cccn3)cc2)C1.
What is the InChIKey of (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine?
The InChIKey is UFIPTOVYRSHWPY-HNNXBMFYSA-N. The full InChI is InChI=1S/C15H20N4/c1-17(2)15-8-11-18(12-15)13-4-6-14(7-5-13)19-10-3-9-16-19/h3-7,9-10,15H,8,11-12H2,1-2H3/t15-/m0/s1.
What are the key properties of (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine?
(3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine has a molecular weight of 256.35 g/mol, XLogP of 2.01, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N,N-dimethyl-1-(4-pyrazol-1-ylphenyl)pyrrolidin-3-amine is sourced from PubChem (CID 141145994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).