1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea

C14H19N5O — CID 121196479

IUPAC1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C14H19N5O/c1-3-4-16-14(20)17-7-11-5-12(8-15-6-11)13-9-18-19(2)10-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,16,17,20)
InChIKeyHGVRCTRQNQSBTK-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.69
Rot. Bonds5

About 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea

1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea (PubChem CID 121196479) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
PubChem CID121196479
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cncc(-c2cnn(C)c2)c1
InChIInChI=1S/C14H19N5O/c1-3-4-16-14(20)17-7-11-5-12(8-15-6-11)13-9-18-19(2)10-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,16,17,20)
InChIKeyHGVRCTRQNQSBTK-UHFFFAOYSA-N
XLogP1.69
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea with MolForge

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Related Compounds

1-(4-methylphenyl)-3-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 121196495
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196212
ethyl 4-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-4-oxobutanoate
CID 121196424
2,6-difluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121022339
1-[2-(1-methylpyrazol-4-yl)ethyl]-3-propylurea
CID 47239068
1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
CID 122275511
3-fluoro-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 121196339
2-ethoxy-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]naphthalene-1-carboxamide
CID 121196333
2-(3,4-dimethoxyphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196270
2-(4-methylphenoxy)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121196371
N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-4-propan-2-yloxybenzamide
CID 121196250
3-(2-methylphenyl)-N-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]propanamide
CID 121196296

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea?
The IUPAC name of 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea (CID 121196479) is 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea?
The canonical SMILES for 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea is CCCNC(=O)NCc1cncc(-c2cnn(C)c2)c1.
What is the InChIKey of 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea?
The InChIKey is HGVRCTRQNQSBTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-4-16-14(20)17-7-11-5-12(8-15-6-11)13-9-18-19(2)10-13/h5-6,8-10H,3-4,7H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea?
1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea has a molecular weight of 273.34 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea is sourced from PubChem (CID 121196479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).