3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide

C16H22N4O2 — CID 87040823

IUPAC3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
SMILESCc1cnn(CCC(=O)NCc2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C16H22N4O2/c1-12(2)22-16-5-4-14(10-18-16)9-17-15(21)6-7-20-11-13(3)8-19-20/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,21)
InChIKeyQFZKJYVUDDREIW-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.08
Rot. Bonds7

About 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide

3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide (PubChem CID 87040823) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
PubChem CID87040823
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
SMILESCc1cnn(CCC(=O)NCc2ccc(OC(C)C)nc2)c1
InChIInChI=1S/C16H22N4O2/c1-12(2)22-16-5-4-14(10-18-16)9-17-15(21)6-7-20-11-13(3)8-19-20/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,21)
InChIKeyQFZKJYVUDDREIW-UHFFFAOYSA-N
XLogP2.08
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The IUPAC name of 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide (CID 87040823) is 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide is Cc1cnn(CCC(=O)NCc2ccc(OC(C)C)nc2)c1.
What is the InChIKey of 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
The InChIKey is QFZKJYVUDDREIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(2)22-16-5-4-14(10-18-16)9-17-15(21)6-7-20-11-13(3)8-19-20/h4-5,8,10-12H,6-7,9H2,1-3H3,(H,17,21).
What are the key properties of 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide?
3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpyrazol-1-yl)-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 87040823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).