2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

C21H25N5 — CID 86808090

IUPAC2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESc1ccc(C(CNCc2cn[nH]c2-c2cccnc2)N2CCCC2)cc1
InChIInChI=1S/C21H25N5/c1-2-7-17(8-3-1)20(26-11-4-5-12-26)16-23-14-19-15-24-25-21(19)18-9-6-10-22-13-18/h1-3,6-10,13,15,20,23H,4-5,11-12,14,16H2,(H,24,25)
InChIKeyDDCRCYLDBFCNRW-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.40
Rot. Bonds7

About 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine

2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (PubChem CID 86808090) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.

Molecular Properties

Compound Name2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
PubChem CID86808090
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine
SMILESc1ccc(C(CNCc2cn[nH]c2-c2cccnc2)N2CCCC2)cc1
InChIInChI=1S/C21H25N5/c1-2-7-17(8-3-1)20(26-11-4-5-12-26)16-23-14-19-15-24-25-21(19)18-9-6-10-22-13-18/h1-3,6-10,13,15,20,23H,4-5,11-12,14,16H2,(H,24,25)
InChIKeyDDCRCYLDBFCNRW-UHFFFAOYSA-N
XLogP3.40
TPSA56.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The IUPAC name of 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine (CID 86808090) is 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine.
What is the SMILES notation for 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The canonical SMILES for 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is c1ccc(C(CNCc2cn[nH]c2-c2cccnc2)N2CCCC2)cc1.
What is the InChIKey of 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
The InChIKey is DDCRCYLDBFCNRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c1-2-7-17(8-3-1)20(26-11-4-5-12-26)16-23-14-19-15-24-25-21(19)18-9-6-10-22-13-18/h1-3,6-10,13,15,20,23H,4-5,11-12,14,16H2,(H,24,25).
What are the key properties of 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine?
2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine has a molecular weight of 347.47 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[(5-pyridin-3-yl-1H-pyrazol-4-yl)methyl]-2-pyrrolidin-1-ylethanamine is sourced from PubChem (CID 86808090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).