1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine

C24H28N6O — CID 175527652

IUPAC1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine
SMILESNc1ccn(CCC(OC(CCn2ccc(N)n2)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H28N6O/c25-23-13-17-29(27-23)15-11-21(19-7-3-1-4-8-19)31-22(20-9-5-2-6-10-20)12-16-30-18-14-24(26)28-30/h1-10,13-14,17-18,21-22H,11-12,15-16H2,(H2,25,27)(H2,26,28)
InChIKeyNWRJDUQMERKEAW-UHFFFAOYSA-N
MW416.53 g/mol
LogP4.22
Rot. Bonds10

About 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine

1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine (PubChem CID 175527652) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine.

Molecular Properties

Compound Name1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine
PubChem CID175527652
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine
SMILESNc1ccn(CCC(OC(CCn2ccc(N)n2)c2ccccc2)c2ccccc2)n1
InChIInChI=1S/C24H28N6O/c25-23-13-17-29(27-23)15-11-21(19-7-3-1-4-8-19)31-22(20-9-5-2-6-10-20)12-16-30-18-14-24(26)28-30/h1-10,13-14,17-18,21-22H,11-12,15-16H2,(H2,25,27)(H2,26,28)
InChIKeyNWRJDUQMERKEAW-UHFFFAOYSA-N
XLogP4.22
TPSA96.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 54.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine?
The IUPAC name of 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine (CID 175527652) is 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine.
What is the SMILES notation for 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine?
The canonical SMILES for 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine is Nc1ccn(CCC(OC(CCn2ccc(N)n2)c2ccccc2)c2ccccc2)n1.
What is the InChIKey of 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine?
The InChIKey is NWRJDUQMERKEAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c25-23-13-17-29(27-23)15-11-21(19-7-3-1-4-8-19)31-22(20-9-5-2-6-10-20)12-16-30-18-14-24(26)28-30/h1-10,13-14,17-18,21-22H,11-12,15-16H2,(H2,25,27)(H2,26,28).
What are the key properties of 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine?
1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine has a molecular weight of 416.53 g/mol, XLogP of 4.22, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[3-(3-aminopyrazol-1-yl)-1-phenylpropoxy]-3-phenylpropyl]pyrazol-3-amine is sourced from PubChem (CID 175527652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).