1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

C14H19N7O — CID 51084988

IUPAC1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESO=C(NCc1ccn[nH]1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H19N7O/c22-14(17-9-11-4-7-18-20-11)19-12-3-1-8-21(10-12)13-15-5-2-6-16-13/h2,4-7,12H,1,3,8-10H2,(H,18,20)(H2,17,19,22)
InChIKeyJVEHDRWGCXSRNA-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.67
Rot. Bonds4

About 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea

1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (PubChem CID 51084988) has the molecular formula C14H19N7O and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.

Molecular Properties

Compound Name1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
PubChem CID51084988
Molecular FormulaC14H19N7O
Molecular Weight301.35 g/mol
Exact Mass301.17
IUPAC Name1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea
SMILESO=C(NCc1ccn[nH]1)NC1CCCN(c2ncccn2)C1
InChIInChI=1S/C14H19N7O/c22-14(17-9-11-4-7-18-20-11)19-12-3-1-8-21(10-12)13-15-5-2-6-16-13/h2,4-7,12H,1,3,8-10H2,(H,18,20)(H2,17,19,22)
InChIKeyJVEHDRWGCXSRNA-UHFFFAOYSA-N
XLogP0.67
TPSA98.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The IUPAC name of 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea (CID 51084988) is 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea.
What is the SMILES notation for 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The canonical SMILES for 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is O=C(NCc1ccn[nH]1)NC1CCCN(c2ncccn2)C1.
What is the InChIKey of 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
The InChIKey is JVEHDRWGCXSRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N7O/c22-14(17-9-11-4-7-18-20-11)19-12-3-1-8-21(10-12)13-15-5-2-6-16-13/h2,4-7,12H,1,3,8-10H2,(H,18,20)(H2,17,19,22).
What are the key properties of 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea?
1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea has a molecular weight of 301.35 g/mol, XLogP of 0.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-5-ylmethyl)-3-(1-pyrimidin-2-ylpiperidin-3-yl)urea is sourced from PubChem (CID 51084988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).