2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

C16H20ClF2N5O — CID 19328101

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1
InChIInChI=1S/C16H20ClF2N5O/c1-10-7-21-23(8-10)6-2-5-20-12(25)9-24-15(11-3-4-11)13(17)14(22-24)16(18)19/h7-8,11,16H,2-6,9H2,1H3,(H,20,25)
InChIKeyHFBAARRTHFZQER-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.06
Rot. Bonds8

About 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 19328101) has the molecular formula C16H20ClF2N5O and a molecular weight of 371.82 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
PubChem CID19328101
Molecular FormulaC16H20ClF2N5O
Molecular Weight371.82 g/mol
Exact Mass371.13
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1cnn(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1
InChIInChI=1S/C16H20ClF2N5O/c1-10-7-21-23(8-10)6-2-5-20-12(25)9-24-15(11-3-4-11)13(17)14(22-24)16(18)19/h7-8,11,16H,2-6,9H2,1H3,(H,20,25)
InChIKeyHFBAARRTHFZQER-UHFFFAOYSA-N
XLogP3.06
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.82
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide (CID 19328101) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is Cc1cnn(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is HFBAARRTHFZQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF2N5O/c1-10-7-21-23(8-10)6-2-5-20-12(25)9-24-15(11-3-4-11)13(17)14(22-24)16(18)19/h7-8,11,16H,2-6,9H2,1H3,(H,20,25).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide has a molecular weight of 371.82 g/mol, XLogP of 3.06, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(4-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19328101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).