1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea

C18H23FN6O2 — CID 56753158

IUPAC1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
SMILESC[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN6O2/c1-12(20)17(26)24-9-6-15(7-10-24)25-16(5-8-21-25)23-18(27)22-14-4-2-3-13(19)11-14/h2-5,8,11-12,15H,6-7,9-10,20H2,1H3,(H2,22,23,27)/t12-/m0/s1
InChIKeyPNGLJVNSHUVFRG-LBPRGKRZSA-N
MW374.42 g/mol
LogP2.18
Rot. Bonds4

About 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea

1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea (PubChem CID 56753158) has the molecular formula C18H23FN6O2 and a molecular weight of 374.42 g/mol. Its IUPAC name is 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea.

Molecular Properties

Compound Name1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
PubChem CID56753158
Molecular FormulaC18H23FN6O2
Molecular Weight374.42 g/mol
Exact Mass374.19
IUPAC Name1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
SMILESC[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1
InChIInChI=1S/C18H23FN6O2/c1-12(20)17(26)24-9-6-15(7-10-24)25-16(5-8-21-25)23-18(27)22-14-4-2-3-13(19)11-14/h2-5,8,11-12,15H,6-7,9-10,20H2,1H3,(H2,22,23,27)/t12-/m0/s1
InChIKeyPNGLJVNSHUVFRG-LBPRGKRZSA-N
XLogP2.18
TPSA105.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 52.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-fluorophenyl)-3-[2-[1-[2-(2-oxopyrrolidin-1-yl)propanoyl]piperidin-4-yl]pyrazol-3-yl]urea
CID 45214616
1-[2-[1-(3,5-dimethyl-1H-pyrrole-2-carbonyl)piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea
CID 26394200
1-(3-fluorophenyl)-3-[2-(1-pyrimidin-2-ylpiperidin-4-yl)pyrazol-3-yl]urea
CID 56752652
1-[(2R)-2-aminopropanoyl]-N-(3-fluorophenyl)piperidine-4-carboxamide;hydrochloride
CID 119314077
1-(2-chlorophenyl)-3-[2-[1-(2-methylpropanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 56744087
[2-[(2-cyclopentylpyrazol-3-yl)amino]-2-oxoethyl]-[2-(3-fluoroanilino)-2-oxoethyl]-methylazanium
CID 8846357
1-(2-chlorophenyl)-3-[2-[1-(2-ethylbutanoyl)piperidin-4-yl]pyrazol-3-yl]urea
CID 25298239
3-fluoro-N-[2-[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42150716
2,2-dimethyl-N-[2-[1-(2-pyrrolidin-1-ylpropanoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 56755417
N-[2-[1-[(4-ethylphenyl)methyl]piperidin-4-yl]pyrazol-3-yl]-3-fluorobenzamide
CID 24791290
3-fluoro-N-[2-[1-[[3-(2-methylpropyl)-1H-pyrazol-5-yl]methyl]piperidin-4-yl]pyrazol-3-yl]benzamide
CID 42528747
N-[2-(1-benzylpiperidin-4-yl)pyrazol-3-yl]-3-fluorobenzamide
CID 42302028

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The IUPAC name of 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea (CID 56753158) is 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea.
What is the SMILES notation for 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The canonical SMILES for 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea is C[C@H](N)C(=O)N1CCC(n2nccc2NC(=O)Nc2cccc(F)c2)CC1.
What is the InChIKey of 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
The InChIKey is PNGLJVNSHUVFRG-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H23FN6O2/c1-12(20)17(26)24-9-6-15(7-10-24)25-16(5-8-21-25)23-18(27)22-14-4-2-3-13(19)11-14/h2-5,8,11-12,15H,6-7,9-10,20H2,1H3,(H2,22,23,27)/t12-/m0/s1.
What are the key properties of 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea?
1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea has a molecular weight of 374.42 g/mol, XLogP of 2.18, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-[(2S)-2-aminopropanoyl]piperidin-4-yl]pyrazol-3-yl]-3-(3-fluorophenyl)urea is sourced from PubChem (CID 56753158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).