1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea

C19H23FN6O — CID 97436288

IUPAC1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
SMILESCc1cc(C)n([C@H](C)CNC(=O)Nc2cnn(Cc3ccccc3F)c2)n1
InChIInChI=1S/C19H23FN6O/c1-13-8-14(2)26(24-13)15(3)9-21-19(27)23-17-10-22-25(12-17)11-16-6-4-5-7-18(16)20/h4-8,10,12,15H,9,11H2,1-3H3,(H2,21,23,27)/t15-/m1/s1
InChIKeyLYKAVBNNKRMOJE-OAHLLOKOSA-N
MW370.43 g/mol
LogP3.27
Rot. Bonds6

About 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea

1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea (PubChem CID 97436288) has the molecular formula C19H23FN6O and a molecular weight of 370.43 g/mol. Its IUPAC name is 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea.

Molecular Properties

Compound Name1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
PubChem CID97436288
Molecular FormulaC19H23FN6O
Molecular Weight370.43 g/mol
Exact Mass370.19
IUPAC Name1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
SMILESCc1cc(C)n([C@H](C)CNC(=O)Nc2cnn(Cc3ccccc3F)c2)n1
InChIInChI=1S/C19H23FN6O/c1-13-8-14(2)26(24-13)15(3)9-21-19(27)23-17-10-22-25(12-17)11-16-6-4-5-7-18(16)20/h4-8,10,12,15H,9,11H2,1-3H3,(H2,21,23,27)/t15-/m1/s1
InChIKeyLYKAVBNNKRMOJE-OAHLLOKOSA-N
XLogP3.27
TPSA76.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3,5-dimethylpyrazol-1-yl)methyl]-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19399975
1-(2,5-dimethoxyphenyl)-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea
CID 40715877
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]propanamide
CID 19533688
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19399998
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-(4-ethoxy-2-fluorophenyl)urea
CID 97444689
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,5-dimethylbenzamide
CID 19399960
1-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-3-propan-2-ylthiourea
CID 17378592
1-butan-2-yl-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]thiourea
CID 19343281
ethyl 4-[[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]carbamoylamino]benzoate
CID 125179536
N-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]-2,4-dimethoxybenzamide
CID 19399965
N-[1-[(2-methylphenyl)methyl]pyrazol-4-yl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 19534643
1-(6-chloro-2-methyl-3-pyridinyl)-3-[2-(3,5-dimethylpyrazol-1-yl)propyl]urea
CID 118793816

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea?
The IUPAC name of 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea (CID 97436288) is 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea.
What is the SMILES notation for 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea?
The canonical SMILES for 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea is Cc1cc(C)n([C@H](C)CNC(=O)Nc2cnn(Cc3ccccc3F)c2)n1.
What is the InChIKey of 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea?
The InChIKey is LYKAVBNNKRMOJE-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H23FN6O/c1-13-8-14(2)26(24-13)15(3)9-21-19(27)23-17-10-22-25(12-17)11-16-6-4-5-7-18(16)20/h4-8,10,12,15H,9,11H2,1-3H3,(H2,21,23,27)/t15-/m1/s1.
What are the key properties of 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea?
1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea has a molecular weight of 370.43 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(3,5-dimethylpyrazol-1-yl)propyl]-3-[1-[(2-fluorophenyl)methyl]pyrazol-4-yl]urea is sourced from PubChem (CID 97436288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).