1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea

C13H23N5O2 — CID 94178633

IUPAC1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC(C)CN1CCO[C@@H](CNC(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C13H23N5O2/c1-10(2)8-18-3-4-20-12(9-18)7-14-13(19)17-11-5-15-16-6-11/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,15,16)(H2,14,17,19)/t12-/m0/s1
InChIKeyDFSZJCMMMBSMGK-LBPRGKRZSA-N
MW281.36 g/mol
LogP0.89
Rot. Bonds5

About 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea

1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea (PubChem CID 94178633) has the molecular formula C13H23N5O2 and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea.

Molecular Properties

Compound Name1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
PubChem CID94178633
Molecular FormulaC13H23N5O2
Molecular Weight281.36 g/mol
Exact Mass281.19
IUPAC Name1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea
SMILESCC(C)CN1CCO[C@@H](CNC(=O)Nc2cn[nH]c2)C1
InChIInChI=1S/C13H23N5O2/c1-10(2)8-18-3-4-20-12(9-18)7-14-13(19)17-11-5-15-16-6-11/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,15,16)(H2,14,17,19)/t12-/m0/s1
InChIKeyDFSZJCMMMBSMGK-LBPRGKRZSA-N
XLogP0.89
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 50.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea?
The IUPAC name of 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea (CID 94178633) is 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea.
What is the SMILES notation for 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea?
The canonical SMILES for 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea is CC(C)CN1CCO[C@@H](CNC(=O)Nc2cn[nH]c2)C1.
What is the InChIKey of 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea?
The InChIKey is DFSZJCMMMBSMGK-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H23N5O2/c1-10(2)8-18-3-4-20-12(9-18)7-14-13(19)17-11-5-15-16-6-11/h5-6,10,12H,3-4,7-9H2,1-2H3,(H,15,16)(H2,14,17,19)/t12-/m0/s1.
What are the key properties of 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea?
1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea has a molecular weight of 281.36 g/mol, XLogP of 0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(2S)-4-(2-methylpropyl)morpholin-2-yl]methyl]-3-(1H-pyrazol-4-yl)urea is sourced from PubChem (CID 94178633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).