1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea

C18H25N5O2 — CID 94437016

IUPAC1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea
SMILESC[C@H](CNC(=O)Nc1cccc(N2CCOCC2)c1)Cn1cccn1
InChIInChI=1S/C18H25N5O2/c1-15(14-23-7-3-6-20-23)13-19-18(24)21-16-4-2-5-17(12-16)22-8-10-25-11-9-22/h2-7,12,15H,8-11,13-14H2,1H3,(H2,19,21,24)/t15-/m1/s1
InChIKeyQMBCMOJANQZZSN-OAHLLOKOSA-N
MW343.43 g/mol
LogP2.18
Rot. Bonds6

About 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea

1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea (PubChem CID 94437016) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea.

Molecular Properties

Compound Name1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea
PubChem CID94437016
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea
SMILESC[C@H](CNC(=O)Nc1cccc(N2CCOCC2)c1)Cn1cccn1
InChIInChI=1S/C18H25N5O2/c1-15(14-23-7-3-6-20-23)13-19-18(24)21-16-4-2-5-17(12-16)22-8-10-25-11-9-22/h2-7,12,15H,8-11,13-14H2,1H3,(H2,19,21,24)/t15-/m1/s1
InChIKeyQMBCMOJANQZZSN-OAHLLOKOSA-N
XLogP2.18
TPSA71.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea?
The IUPAC name of 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea (CID 94437016) is 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea.
What is the SMILES notation for 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea?
The canonical SMILES for 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea is C[C@H](CNC(=O)Nc1cccc(N2CCOCC2)c1)Cn1cccn1.
What is the InChIKey of 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea?
The InChIKey is QMBCMOJANQZZSN-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-15(14-23-7-3-6-20-23)13-19-18(24)21-16-4-2-5-17(12-16)22-8-10-25-11-9-22/h2-7,12,15H,8-11,13-14H2,1H3,(H2,19,21,24)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea?
1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea has a molecular weight of 343.43 g/mol, XLogP of 2.18, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-3-(3-morpholin-4-ylphenyl)urea is sourced from PubChem (CID 94437016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).