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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Related Compounds

3-(4-methyl-1,2,4-triazol-3-yl)-N-(1H-pyrazol-5-ylmethyl)piperidine-1-carboxamide
CID 53522888
4-N,4-N,6-trimethyl-2-N-(2-pyrazol-1-ylethyl)pyrimidine-2,4-diamine
CID 53537047
1-(3-Pyrazol-1-ylpiperidin-1-yl)-3-(pyrimidin-2-ylamino)propan-1-one
CID 53551193
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-4-(pyrimidin-2-ylamino)butan-1-one
CID 53582293
N-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 71892815
1-[3-(3,5-Dimethylpyrazol-1-yl)piperidin-1-yl]-3-(pyrimidin-2-ylamino)propan-1-one
CID 72142623
N-{1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl}-2-(1H-pyrazol-1-yl)propanamide
CID 91631450
N-[(6-methyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridin-3-yl)methyl]pyrimidin-2-amine
CID 97404947
Dimethyl({2-[1-(1H-pyrazol-3-ylmethyl)pyrrolidin-2-YL]pyrimidin-4-YL}methyl)amine
CID 110117145
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1H-pyrazol-3-yl)pyrimidin-4-amine
CID 166633170
Pyrazolylpyrimidine
CID 53630866
2-(4-ethyl-3,5-dimethyl-1H-pyrazol-1-yl)-N-[1-(2-pyrimidinyl)-3-piperidinyl]acetamide
CID 56915257

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).