N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide

C17H22FN5O2 — CID 47525813

IUPACN-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)CC(=O)NC(N)=O
InChIInChI=1S/C17H22FN5O2/c1-22(11-16(24)20-17(19)25)9-3-4-14-10-15(23(2)21-14)12-5-7-13(18)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H3,19,20,24,25)
InChIKeyFOPRZXHWRONLCQ-UHFFFAOYSA-N
MW347.39 g/mol
LogP1.29
Rot. Bonds7

About N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide

N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide (PubChem CID 47525813) has the molecular formula C17H22FN5O2 and a molecular weight of 347.39 g/mol. Its IUPAC name is N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide.

Molecular Properties

Compound NameN-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide
PubChem CID47525813
Molecular FormulaC17H22FN5O2
Molecular Weight347.39 g/mol
Exact Mass347.18
IUPAC NameN-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide
SMILESCN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)CC(=O)NC(N)=O
InChIInChI=1S/C17H22FN5O2/c1-22(11-16(24)20-17(19)25)9-3-4-14-10-15(23(2)21-14)12-5-7-13(18)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H3,19,20,24,25)
InChIKeyFOPRZXHWRONLCQ-UHFFFAOYSA-N
XLogP1.29
TPSA93.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

CID 33474
CID 33474
CID 856236
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CID 653962
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CID 844032
CID 844032
CID 44589665
CID 44589665
CID 60650
CID 60650
CID 4766015
CID 4766015
CID 16012214
CID 16012214
CID 16026492
CID 16026492
CID 16187815
CID 16187815
CID 16286690
CID 16286690
CID 24817646
CID 24817646

Frequently Asked Questions

What is the IUPAC name of N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide?
The IUPAC name of N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide (CID 47525813) is N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide.
What is the SMILES notation for N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide?
The canonical SMILES for N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide is CN(CCCc1cc(-c2ccc(F)cc2)n(C)n1)CC(=O)NC(N)=O.
What is the InChIKey of N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide?
The InChIKey is FOPRZXHWRONLCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22FN5O2/c1-22(11-16(24)20-17(19)25)9-3-4-14-10-15(23(2)21-14)12-5-7-13(18)8-6-12/h5-8,10H,3-4,9,11H2,1-2H3,(H3,19,20,24,25).
What are the key properties of N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide?
N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide has a molecular weight of 347.39 g/mol, XLogP of 1.29, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-carbamoyl-2-[3-[5-(4-fluorophenyl)-1-methylpyrazol-3-yl]propyl-methylamino]acetamide is sourced from PubChem (CID 47525813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).