5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

C17H16N4 — CID 80523576

IUPAC5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2(c3ccccc3)CC2)c1-c1ccncc1
InChIInChI=1S/C17H16N4/c18-16-14(12-6-10-19-11-7-12)15(20-21-16)17(8-9-17)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H3,18,20,21)
InChIKeySAPYGWHSADCLSU-UHFFFAOYSA-N
MW276.34 g/mol
LogP3.13
Rot. Bonds3

About 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine

5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (PubChem CID 80523576) has the molecular formula C17H16N4 and a molecular weight of 276.34 g/mol. Its IUPAC name is 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.

Molecular Properties

Compound Name5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
PubChem CID80523576
Molecular FormulaC17H16N4
Molecular Weight276.34 g/mol
Exact Mass276.14
IUPAC Name5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine
SMILESNc1n[nH]c(C2(c3ccccc3)CC2)c1-c1ccncc1
InChIInChI=1S/C17H16N4/c18-16-14(12-6-10-19-11-7-12)15(20-21-16)17(8-9-17)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H3,18,20,21)
InChIKeySAPYGWHSADCLSU-UHFFFAOYSA-N
XLogP3.13
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The IUPAC name of 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine (CID 80523576) is 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine.
What is the SMILES notation for 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The canonical SMILES for 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is Nc1n[nH]c(C2(c3ccccc3)CC2)c1-c1ccncc1.
What is the InChIKey of 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
The InChIKey is SAPYGWHSADCLSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4/c18-16-14(12-6-10-19-11-7-12)15(20-21-16)17(8-9-17)13-4-2-1-3-5-13/h1-7,10-11H,8-9H2,(H3,18,20,21).
What are the key properties of 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine?
5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine has a molecular weight of 276.34 g/mol, XLogP of 3.13, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-phenylcyclopropyl)-4-pyridin-4-yl-1H-pyrazol-3-amine is sourced from PubChem (CID 80523576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).