1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea

C13H21N5O — CID 10199156

IUPAC1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea
SMILESO=C(NCC1CCNCC1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H21N5O/c19-13(15-8-9-3-5-14-6-4-9)16-12-7-11(17-18-12)10-1-2-10/h7,9-10,14H,1-6,8H2,(H3,15,16,17,18,19)
InChIKeyXLEUVNGBAINYTR-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.41
Rot. Bonds4

About 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea

1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea (PubChem CID 10199156) has the molecular formula C13H21N5O and a molecular weight of 263.34 g/mol. Its IUPAC name is 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea.

Molecular Properties

Compound Name1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea
PubChem CID10199156
Molecular FormulaC13H21N5O
Molecular Weight263.34 g/mol
Exact Mass263.17
IUPAC Name1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea
SMILESO=C(NCC1CCNCC1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/C13H21N5O/c19-13(15-8-9-3-5-14-6-4-9)16-12-7-11(17-18-12)10-1-2-10/h7,9-10,14H,1-6,8H2,(H3,15,16,17,18,19)
InChIKeyXLEUVNGBAINYTR-UHFFFAOYSA-N
XLogP1.41
TPSA81.84 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

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Related Compounds

N-(5-cyclopropyl-1H-pyrazol-3-yl)butanamide
CID 5330972
3-(piperidin-4-yl)-1H-pyrazol-5-amine
CID 45792668
US10118930, Example 26
CID 137018653
3-N-(5-ethyl-1H-pyrazol-3-yl)-1-N-(2-methylpropyl)piperidine-1,3-dicarboxamide
CID 72001154
N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 2819087
1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
1-[3-(1-methylcyclopropyl)-1H-pyrazol-5-yl]piperazine
CID 75356561
N-[1-(5-cyclopropyl-3-pyrazolyl)-4-piperidyl]-(S)-3-cyclohexene-1-carboxamide
CID 100744073
1-[5-methyl-4-(2-methylpropyl)-1H-pyrazol-3-yl]-3-(2,2,2-trifluoroethyl)urea
CID 53600269
1-(4-methylpiperidin-1-yl)-2-[methyl-(5-propan-2-yl-1H-pyrazol-3-yl)amino]ethanone
CID 72126093
N-[1-(5-cyclopropyl-1H-pyrazol-3-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 91632001
2,2-dimethyl-N-[2-oxo-2-[[5-[(2S)-pentan-2-yl]-1H-pyrazol-3-yl]amino]ethyl]propanamide
CID 97583952

Frequently Asked Questions

What is the IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea?
The IUPAC name of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea (CID 10199156) is 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea.
What is the SMILES notation for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea?
The canonical SMILES for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea is O=C(NCC1CCNCC1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea?
The InChIKey is XLEUVNGBAINYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O/c19-13(15-8-9-3-5-14-6-4-9)16-12-7-11(17-18-12)10-1-2-10/h7,9-10,14H,1-6,8H2,(H3,15,16,17,18,19).
What are the key properties of 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea?
1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea has a molecular weight of 263.34 g/mol, XLogP of 1.41, 4 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(piperidin-4-ylmethyl)urea is sourced from PubChem (CID 10199156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).