1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea

C12H21N5O — CID 71893203

IUPAC1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
SMILESCCC(CNC(=O)Nc1cn[nH]c1)N1CCCC1
InChIInChI=1S/C12H21N5O/c1-2-11(17-5-3-4-6-17)9-13-12(18)16-10-7-14-15-8-10/h7-8,11H,2-6,9H2,1H3,(H,14,15)(H2,13,16,18)
InChIKeyBDGODYMGVCVVCH-UHFFFAOYSA-N
MW251.33 g/mol
LogP1.41
Rot. Bonds5

About 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea

1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea (PubChem CID 71893203) has the molecular formula C12H21N5O and a molecular weight of 251.33 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea.

Molecular Properties

Compound Name1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
PubChem CID71893203
Molecular FormulaC12H21N5O
Molecular Weight251.33 g/mol
Exact Mass251.17
IUPAC Name1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
SMILESCCC(CNC(=O)Nc1cn[nH]c1)N1CCCC1
InChIInChI=1S/C12H21N5O/c1-2-11(17-5-3-4-6-17)9-13-12(18)16-10-7-14-15-8-10/h7-8,11H,2-6,9H2,1H3,(H,14,15)(H2,13,16,18)
InChIKeyBDGODYMGVCVVCH-UHFFFAOYSA-N
XLogP1.41
TPSA73.05 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-morpholin-4-ylpropyl)-3-(1H-pyrazol-4-yl)urea
CID 53503374
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 53504548
1-[2-(Dimethylamino)propyl]-3-(1-ethylpyrazol-4-yl)urea
CID 53504812
1-(1-Ethylpyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea
CID 53506142
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylpropyl)urea
CID 71893198
N-[1-(2-Methylpropyl)pyrazol-4-YL]pyrrolidine-1-carboxamide
CID 71926134
N-(4-pyrazolyl)urea
CID 43540216
1-[2-methyl-2-(4-methylpiperazin-1-yl)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53503098
N-methyl-2-[4-(1H-pyrazol-4-ylcarbamoylamino)piperidin-1-yl]acetamide
CID 53503350
1-[2-(dimethylamino)propyl]-3-(1H-pyrazol-4-yl)urea
CID 53505344
1-cyclopentyl-3-(1H-pyrazol-4-yl)-1-(3,3,3-trifluoropropyl)urea
CID 71859104
1-[2-(4-acetylpiperazin-1-yl)ethyl]-3-(1H-pyrazol-4-yl)urea
CID 71893159

Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea?
The IUPAC name of 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea (CID 71893203) is 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea.
What is the SMILES notation for 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea?
The canonical SMILES for 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea is CCC(CNC(=O)Nc1cn[nH]c1)N1CCCC1.
What is the InChIKey of 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea?
The InChIKey is BDGODYMGVCVVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5O/c1-2-11(17-5-3-4-6-17)9-13-12(18)16-10-7-14-15-8-10/h7-8,11H,2-6,9H2,1H3,(H,14,15)(H2,13,16,18).
What are the key properties of 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea?
1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea has a molecular weight of 251.33 g/mol, XLogP of 1.41, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-yl)-3-(2-pyrrolidin-1-ylbutyl)urea is sourced from PubChem (CID 71893203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).