1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea

C19H33N5O — CID 119072646

IUPAC1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
SMILESCc1[nH]ncc1CN(C)C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C19H33N5O/c1-16-17(13-21-22-16)14-23(2)18(25)20-15-19(9-5-3-6-10-19)24-11-7-4-8-12-24/h13H,3-12,14-15H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyJIOIEPUOIATNRG-UHFFFAOYSA-N
MW347.51 g/mol
LogP3.05
Rot. Bonds5

About 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea

1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea (PubChem CID 119072646) has the molecular formula C19H33N5O and a molecular weight of 347.51 g/mol. Its IUPAC name is 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
PubChem CID119072646
Molecular FormulaC19H33N5O
Molecular Weight347.51 g/mol
Exact Mass347.27
IUPAC Name1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea
SMILESCc1[nH]ncc1CN(C)C(=O)NCC1(N2CCCCC2)CCCCC1
InChIInChI=1S/C19H33N5O/c1-16-17(13-21-22-16)14-23(2)18(25)20-15-19(9-5-3-6-10-19)24-11-7-4-8-12-24/h13H,3-12,14-15H2,1-2H3,(H,20,25)(H,21,22)
InChIKeyJIOIEPUOIATNRG-UHFFFAOYSA-N
XLogP3.05
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea with MolForge

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Related Compounds

1-[(3-hydroxyphenyl)methyl]-1-methyl-3-[[1-(4-methylpiperazin-1-yl)cyclohexyl]methyl]urea
CID 119061874
N-[(5-methyl-1H-pyrazol-4-yl)methyl]azepane-1-carboxamide
CID 112729713
N-(1,2,3,4,6,7,8,9-octahydroquinolizin-9a-ylmethyl)acetamide
CID 121011981
3,4-dimethyl-6-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridazine-5-carboxamide
CID 136576756
N-[(1-piperidin-1-ylcyclohexyl)methyl]pyrazine-2-carboxamide
CID 17447495
2-pyridin-3-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]acetamide
CID 91780791
1-[(3-cyanophenyl)methyl]-1-methyl-3-[(1-morpholin-4-ylcyclohexyl)methyl]urea
CID 86999564
2-amino-6-methyl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]pyrimidine-4-carboxamide
CID 91771967
N,N-dimethyl-1-[[(5-methyl-1H-pyrazol-4-yl)methylamino]methyl]cyclopentan-1-amine
CID 86808426
N,2,6-trimethyl-4-oxo-N-[(1-piperidin-1-ylcyclohexyl)methyl]-1H-pyridine-3-carboxamide
CID 56909282
N,N-dimethyl-1-[[[N'-methyl-N-[(5-methyl-1H-pyrazol-4-yl)methyl]carbamimidoyl]amino]methyl]cyclopentane-1-carboxamide
CID 119140413
2-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]propanamide
CID 60716987

Frequently Asked Questions

What is the IUPAC name of 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The IUPAC name of 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea (CID 119072646) is 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea.
What is the SMILES notation for 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The canonical SMILES for 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea is Cc1[nH]ncc1CN(C)C(=O)NCC1(N2CCCCC2)CCCCC1.
What is the InChIKey of 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
The InChIKey is JIOIEPUOIATNRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H33N5O/c1-16-17(13-21-22-16)14-23(2)18(25)20-15-19(9-5-3-6-10-19)24-11-7-4-8-12-24/h13H,3-12,14-15H2,1-2H3,(H,20,25)(H,21,22).
What are the key properties of 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea?
1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea has a molecular weight of 347.51 g/mol, XLogP of 3.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-1-[(5-methyl-1H-pyrazol-4-yl)methyl]-3-[(1-piperidin-1-ylcyclohexyl)methyl]urea is sourced from PubChem (CID 119072646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).