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

C21H29N5O2 — CID 72932287

IUPAC1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C21H29N5O2/c27-20(24-18-6-4-17(5-7-18)19-8-11-23-25-19)22-16-21(9-2-1-3-10-21)26-12-14-28-15-13-26/h4-8,11H,1-3,9-10,12-16H2,(H,23,25)(H2,22,24,27)
InChIKeyBJQOXXCETSBGOT-UHFFFAOYSA-N
MW383.50 g/mol
LogP3.23
Rot. Bonds5

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

1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea (PubChem CID 72932287) has the molecular formula C21H29N5O2 and a molecular weight of 383.50 g/mol. Its IUPAC name is 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea.

Molecular Properties

Compound Name1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
PubChem CID72932287
Molecular FormulaC21H29N5O2
Molecular Weight383.50 g/mol
Exact Mass383.23
IUPAC Name1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccc(-c2ccn[nH]2)cc1
InChIInChI=1S/C21H29N5O2/c27-20(24-18-6-4-17(5-7-18)19-8-11-23-25-19)22-16-21(9-2-1-3-10-21)26-12-14-28-15-13-26/h4-8,11H,1-3,9-10,12-16H2,(H,23,25)(H2,22,24,27)
InChIKeyBJQOXXCETSBGOT-UHFFFAOYSA-N
XLogP3.23
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.50
LogP ≤ 53.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The IUPAC name of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea (CID 72932287) is 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea.
What is the SMILES notation for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The canonical SMILES for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea is O=C(NCC1(N2CCOCC2)CCCCC1)Nc1ccc(-c2ccn[nH]2)cc1.
What is the InChIKey of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
The InChIKey is BJQOXXCETSBGOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O2/c27-20(24-18-6-4-17(5-7-18)19-8-11-23-25-19)22-16-21(9-2-1-3-10-21)26-12-14-28-15-13-26/h4-8,11H,1-3,9-10,12-16H2,(H,23,25)(H2,22,24,27).
What are the key properties of 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea?
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea has a molecular weight of 383.50 g/mol, XLogP of 3.23, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-[4-(1H-pyrazol-5-yl)phenyl]urea is sourced from PubChem (CID 72932287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).