N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine

C15H22N4O — CID 59564766

IUPACN-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCOCCCNc1cc(-c2cn[nH]c2C(C)C)ccn1
InChIInChI=1S/C15H22N4O/c1-11(2)15-13(10-18-19-15)12-5-7-17-14(9-12)16-6-4-8-20-3/h5,7,9-11H,4,6,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWQVNETTWVRIMEQ-UHFFFAOYSA-N
MW274.37 g/mol
LogP3.04
Rot. Bonds7

About N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine

N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine (PubChem CID 59564766) has the molecular formula C15H22N4O and a molecular weight of 274.37 g/mol. Its IUPAC name is N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
PubChem CID59564766
Molecular FormulaC15H22N4O
Molecular Weight274.37 g/mol
Exact Mass274.18
IUPAC NameN-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine
SMILESCOCCCNc1cc(-c2cn[nH]c2C(C)C)ccn1
InChIInChI=1S/C15H22N4O/c1-11(2)15-13(10-18-19-15)12-5-7-17-14(9-12)16-6-4-8-20-3/h5,7,9-11H,4,6,8H2,1-3H3,(H,16,17)(H,18,19)
InChIKeyWQVNETTWVRIMEQ-UHFFFAOYSA-N
XLogP3.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.37
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The IUPAC name of N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine (CID 59564766) is N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine.
What is the SMILES notation for N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The canonical SMILES for N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine is COCCCNc1cc(-c2cn[nH]c2C(C)C)ccn1.
What is the InChIKey of N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
The InChIKey is WQVNETTWVRIMEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O/c1-11(2)15-13(10-18-19-15)12-5-7-17-14(9-12)16-6-4-8-20-3/h5,7,9-11H,4,6,8H2,1-3H3,(H,16,17)(H,18,19).
What are the key properties of N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine?
N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine has a molecular weight of 274.37 g/mol, XLogP of 3.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-4-(5-propan-2-yl-1H-pyrazol-4-yl)pyridin-2-amine is sourced from PubChem (CID 59564766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).