1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea

C14H19N5O — CID 122275511

IUPAC1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cccnc1-c1cnn(C)c1
InChIInChI=1S/C14H19N5O/c1-3-6-16-14(20)17-8-11-5-4-7-15-13(11)12-9-18-19(2)10-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,16,17,20)
InChIKeyDXRGMZKVEXVHEA-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.69
Rot. Bonds5

About 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea

1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea (PubChem CID 122275511) has the molecular formula C14H19N5O and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea.

Molecular Properties

Compound Name1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
PubChem CID122275511
Molecular FormulaC14H19N5O
Molecular Weight273.34 g/mol
Exact Mass273.16
IUPAC Name1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea
SMILESCCCNC(=O)NCc1cccnc1-c1cnn(C)c1
InChIInChI=1S/C14H19N5O/c1-3-6-16-14(20)17-8-11-5-4-7-15-13(11)12-9-18-19(2)10-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,16,17,20)
InChIKeyDXRGMZKVEXVHEA-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

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Related Compounds

1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-(pyridin-3-ylmethyl)urea
CID 122275480
1-(4-butoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275516
1-benzhydryl-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275518
2-cyclopentyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 121022795
4-methoxy-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]benzamide
CID 122275224
N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2-thiophen-3-ylacetamide
CID 122275410
N-[2-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methylamino]-2-oxoethyl]benzamide
CID 122275351
4-ethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-2,3-dioxopiperazine-1-carboxamide
CID 122275494
pyridin-2-ylmethyl N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]carbamate
CID 121022836
2-(1,3-dioxoisoindol-2-yl)-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]acetamide
CID 122275349
1-(5-chloro-2-methoxyphenyl)-3-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]urea
CID 122275539
3,5-dimethyl-N-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-1,2-oxazole-4-carboxamide
CID 119105609

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea?
The IUPAC name of 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea (CID 122275511) is 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea.
What is the SMILES notation for 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea?
The canonical SMILES for 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea is CCCNC(=O)NCc1cccnc1-c1cnn(C)c1.
What is the InChIKey of 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea?
The InChIKey is DXRGMZKVEXVHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O/c1-3-6-16-14(20)17-8-11-5-4-7-15-13(11)12-9-18-19(2)10-12/h4-5,7,9-10H,3,6,8H2,1-2H3,(H2,16,17,20).
What are the key properties of 1-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea?
1-[[2-(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-[[2-(1-methylpyrazol-4-yl)-3-pyridinyl]methyl]-3-propylurea is sourced from PubChem (CID 122275511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).