4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine

C18H21N5 — CID 59564792

IUPAC4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
SMILESCC(C)c1[nH]ncc1-c1ccnc(NCCc2ccccn2)c1
InChIInChI=1S/C18H21N5/c1-13(2)18-16(12-22-23-18)14-6-9-20-17(11-14)21-10-7-15-5-3-4-8-19-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRMRSUKLWBRYMKF-UHFFFAOYSA-N
MW307.40 g/mol
LogP3.64
Rot. Bonds6

About 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine

4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine (PubChem CID 59564792) has the molecular formula C18H21N5 and a molecular weight of 307.40 g/mol. Its IUPAC name is 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine.

Molecular Properties

Compound Name4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
PubChem CID59564792
Molecular FormulaC18H21N5
Molecular Weight307.40 g/mol
Exact Mass307.18
IUPAC Name4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine
SMILESCC(C)c1[nH]ncc1-c1ccnc(NCCc2ccccn2)c1
InChIInChI=1S/C18H21N5/c1-13(2)18-16(12-22-23-18)14-6-9-20-17(11-14)21-10-7-15-5-3-4-8-19-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,20,21)(H,22,23)
InChIKeyRMRSUKLWBRYMKF-UHFFFAOYSA-N
XLogP3.64
TPSA66.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The IUPAC name of 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine (CID 59564792) is 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine.
What is the SMILES notation for 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The canonical SMILES for 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine is CC(C)c1[nH]ncc1-c1ccnc(NCCc2ccccn2)c1.
What is the InChIKey of 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
The InChIKey is RMRSUKLWBRYMKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5/c1-13(2)18-16(12-22-23-18)14-6-9-20-17(11-14)21-10-7-15-5-3-4-8-19-15/h3-6,8-9,11-13H,7,10H2,1-2H3,(H,20,21)(H,22,23).
What are the key properties of 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine?
4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine has a molecular weight of 307.40 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-propan-2-yl-1H-pyrazol-4-yl)-N-(2-pyridin-2-ylethyl)pyridin-2-amine is sourced from PubChem (CID 59564792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).