1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea

C19H25FN4O2 — CID 125441973

IUPAC1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESC[C@H](NC(=O)NCC1(O)CCCCC1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C19H25FN4O2/c1-14(23-18(25)21-13-19(26)9-5-2-6-10-19)15-11-22-24(12-15)17-8-4-3-7-16(17)20/h3-4,7-8,11-12,14,26H,2,5-6,9-10,13H2,1H3,(H2,21,23,25)/t14-/m0/s1
InChIKeySYNSLLRZIHUCKV-AWEZNQCLSA-N
MW360.43 g/mol
LogP3.07
Rot. Bonds5

About 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea

1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea (PubChem CID 125441973) has the molecular formula C19H25FN4O2 and a molecular weight of 360.43 g/mol. Its IUPAC name is 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea.

Molecular Properties

Compound Name1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
PubChem CID125441973
Molecular FormulaC19H25FN4O2
Molecular Weight360.43 g/mol
Exact Mass360.20
IUPAC Name1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea
SMILESC[C@H](NC(=O)NCC1(O)CCCCC1)c1cnn(-c2ccccc2F)c1
InChIInChI=1S/C19H25FN4O2/c1-14(23-18(25)21-13-19(26)9-5-2-6-10-19)15-11-22-24(12-15)17-8-4-3-7-16(17)20/h3-4,7-8,11-12,14,26H,2,5-6,9-10,13H2,1H3,(H2,21,23,25)/t14-/m0/s1
InChIKeySYNSLLRZIHUCKV-AWEZNQCLSA-N
XLogP3.07
TPSA79.18 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.43
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1-hydroxycyclohexyl)methyl]-3-[(1R)-1-[1-(2-methoxyphenyl)pyrazol-4-yl]ethyl]urea
CID 125445589
1-[(1-hydroxycyclohexyl)methyl]-3-(1-phenylethyl)urea
CID 110936427
1-cyclopropyl-3-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 125439921
2-(4-ethylpiperazin-1-yl)-N-[(1R)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 125176662
2-(cyclopropylmethylsulfanyl)-N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]acetamide
CID 126438730
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-2-methoxy-2-methylpropanamide
CID 125170397
2-(2-fluorophenyl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111433244
N-[1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-4-methoxypiperidine-1-carboxamide
CID 122570470
1-[1-(2-bromophenyl)ethyl]-3-[(1-hydroxycyclopentyl)methyl]urea
CID 111103914
1-[(1S)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854951
1-[(1R)-1-(1-benzylpyrazol-4-yl)ethyl]-3-[2-(1-hydroxycyclobutyl)ethyl]urea
CID 124854952
N-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-oxo-4-propylpiperazine-1-carboxamide
CID 125447213

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The IUPAC name of 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea (CID 125441973) is 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea.
What is the SMILES notation for 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The canonical SMILES for 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea is C[C@H](NC(=O)NCC1(O)CCCCC1)c1cnn(-c2ccccc2F)c1.
What is the InChIKey of 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
The InChIKey is SYNSLLRZIHUCKV-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H25FN4O2/c1-14(23-18(25)21-13-19(26)9-5-2-6-10-19)15-11-22-24(12-15)17-8-4-3-7-16(17)20/h3-4,7-8,11-12,14,26H,2,5-6,9-10,13H2,1H3,(H2,21,23,25)/t14-/m0/s1.
What are the key properties of 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea?
1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea has a molecular weight of 360.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-1-[1-(2-fluorophenyl)pyrazol-4-yl]ethyl]-3-[(1-hydroxycyclohexyl)methyl]urea is sourced from PubChem (CID 125441973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).