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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Related Compounds

3-[3,5-dimethyl-1-(2-methylpropyl)pyrazol-4-yl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55747151
N-[2-(4-methylphenoxy)propyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 71994353
N-[[2-(dimethylamino)-4-pyridinyl]methyl]-3-(4-methylpyrazol-1-yl)propanamide
CID 87040695
3-(4-methylpyrazol-1-yl)-N-(pyridin-2-ylmethyl)propanamide
CID 87039778
(2S)-2-methylsulfonyl-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 94173164
2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]acetamide
CID 55786448
1-[(6-propan-2-yloxy-3-pyridinyl)methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94206278
3-[4-(azepan-1-ylsulfonyl)phenyl]-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]propanamide
CID 55785725
3,4,5-trimethoxy-N-[(6-propan-2-yloxy-3-pyridinyl)methyl]benzamide
CID 47042876
3-(4-methylpyrazol-1-yl)-N-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]propanamide
CID 87042762
3-(4-methylpyrazol-1-yl)-N-(2-sulfanylethyl)propanamide
CID 19559644
2-(6-propan-2-yloxy-3-pyridinyl)acetamide
CID 173496816

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).