4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine

C21H25N5 — CID 110254366

IUPAC4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn[nH]c2C2CCCN2CCCc2ccccc2)ccn1
InChIInChI=1S/C21H25N5/c22-20-14-17(10-11-23-20)18-15-24-25-21(18)19-9-5-13-26(19)12-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,19H,4-5,8-9,12-13H2,(H2,22,23)(H,24,25)
InChIKeyXUXAJUOYYBJWRM-UHFFFAOYSA-N
MW347.47 g/mol
LogP3.82
Rot. Bonds6

About 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine

4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine (PubChem CID 110254366) has the molecular formula C21H25N5 and a molecular weight of 347.47 g/mol. Its IUPAC name is 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
PubChem CID110254366
Molecular FormulaC21H25N5
Molecular Weight347.47 g/mol
Exact Mass347.21
IUPAC Name4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine
SMILESNc1cc(-c2cn[nH]c2C2CCCN2CCCc2ccccc2)ccn1
InChIInChI=1S/C21H25N5/c22-20-14-17(10-11-23-20)18-15-24-25-21(18)19-9-5-13-26(19)12-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,19H,4-5,8-9,12-13H2,(H2,22,23)(H,24,25)
InChIKeyXUXAJUOYYBJWRM-UHFFFAOYSA-N
XLogP3.82
TPSA70.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.47
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The IUPAC name of 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine (CID 110254366) is 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine.
What is the SMILES notation for 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The canonical SMILES for 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine is Nc1cc(-c2cn[nH]c2C2CCCN2CCCc2ccccc2)ccn1.
What is the InChIKey of 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
The InChIKey is XUXAJUOYYBJWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5/c22-20-14-17(10-11-23-20)18-15-24-25-21(18)19-9-5-13-26(19)12-4-8-16-6-2-1-3-7-16/h1-3,6-7,10-11,14-15,19H,4-5,8-9,12-13H2,(H2,22,23)(H,24,25).
What are the key properties of 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine?
4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine has a molecular weight of 347.47 g/mol, XLogP of 3.82, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[1-(3-phenylpropyl)pyrrolidin-2-yl]-1H-pyrazol-4-yl]pyridin-2-amine is sourced from PubChem (CID 110254366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).