1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea

C17H22N4O — CID 124844287

IUPAC1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea
SMILESCc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NCC1CC1
InChIInChI=1S/C17H22N4O/c1-12-11-21(13(2)15-6-4-3-5-7-15)20-16(12)19-17(22)18-10-14-8-9-14/h3-7,11,13-14H,8-10H2,1-2H3,(H2,18,19,20,22)/t13-/m0/s1
InChIKeyFYRBWBCHFLFCRI-ZDUSSCGKSA-N
MW298.39 g/mol
LogP3.33
Rot. Bonds5

About 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea

1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea (PubChem CID 124844287) has the molecular formula C17H22N4O and a molecular weight of 298.39 g/mol. Its IUPAC name is 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea.

Molecular Properties

Compound Name1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea
PubChem CID124844287
Molecular FormulaC17H22N4O
Molecular Weight298.39 g/mol
Exact Mass298.18
IUPAC Name1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea
SMILESCc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NCC1CC1
InChIInChI=1S/C17H22N4O/c1-12-11-21(13(2)15-6-4-3-5-7-15)20-16(12)19-17(22)18-10-14-8-9-14/h3-7,11,13-14H,8-10H2,1-2H3,(H2,18,19,20,22)/t13-/m0/s1
InChIKeyFYRBWBCHFLFCRI-ZDUSSCGKSA-N
XLogP3.33
TPSA58.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea?
The IUPAC name of 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea (CID 124844287) is 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea.
What is the SMILES notation for 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea?
The canonical SMILES for 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea is Cc1cn([C@@H](C)c2ccccc2)nc1NC(=O)NCC1CC1.
What is the InChIKey of 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea?
The InChIKey is FYRBWBCHFLFCRI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22N4O/c1-12-11-21(13(2)15-6-4-3-5-7-15)20-16(12)19-17(22)18-10-14-8-9-14/h3-7,11,13-14H,8-10H2,1-2H3,(H2,18,19,20,22)/t13-/m0/s1.
What are the key properties of 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea?
1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea has a molecular weight of 298.39 g/mol, XLogP of 3.33, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclopropylmethyl)-3-[4-methyl-1-[(1S)-1-phenylethyl]pyrazol-3-yl]urea is sourced from PubChem (CID 124844287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).