N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine

C17H26N4O — CID 46961974

IUPACN-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCC(C)OCCCN(Cc1cnn(C)c1)Cc1ccccn1
InChIInChI=1S/C17H26N4O/c1-15(2)22-10-6-9-21(13-16-11-19-20(3)12-16)14-17-7-4-5-8-18-17/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3
InChIKeyPCKMEQRLZSUUNY-UHFFFAOYSA-N
MW302.42 g/mol
LogP2.63
Rot. Bonds9

About N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine

N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine (PubChem CID 46961974) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine.

Molecular Properties

Compound NameN-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
PubChem CID46961974
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC NameN-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine
SMILESCC(C)OCCCN(Cc1cnn(C)c1)Cc1ccccn1
InChIInChI=1S/C17H26N4O/c1-15(2)22-10-6-9-21(13-16-11-19-20(3)12-16)14-17-7-4-5-8-18-17/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3
InChIKeyPCKMEQRLZSUUNY-UHFFFAOYSA-N
XLogP2.63
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The IUPAC name of N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine (CID 46961974) is N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine.
What is the SMILES notation for N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The canonical SMILES for N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine is CC(C)OCCCN(Cc1cnn(C)c1)Cc1ccccn1.
What is the InChIKey of N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine?
The InChIKey is PCKMEQRLZSUUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-15(2)22-10-6-9-21(13-16-11-19-20(3)12-16)14-17-7-4-5-8-18-17/h4-5,7-8,11-12,15H,6,9-10,13-14H2,1-3H3.
What are the key properties of N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine?
N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine has a molecular weight of 302.42 g/mol, XLogP of 2.63, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methylpyrazol-4-yl)methyl]-3-propan-2-yloxy-N-(pyridin-2-ylmethyl)propan-1-amine is sourced from PubChem (CID 46961974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).