2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide

C19H23ClF2N6O2 — CID 19584805

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C19H23ClF2N6O2/c1-26-17(19(30)27-7-3-2-4-8-27)12(9-23-26)24-13(29)10-28-16(11-5-6-11)14(20)15(25-28)18(21)22/h9,11,18H,2-8,10H2,1H3,(H,24,29)
InChIKeySYWSJSLWDADOBZ-UHFFFAOYSA-N
MW440.88 g/mol
LogP3.35
Rot. Bonds6

About 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide (PubChem CID 19584805) has the molecular formula C19H23ClF2N6O2 and a molecular weight of 440.88 g/mol. Its IUPAC name is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
PubChem CID19584805
Molecular FormulaC19H23ClF2N6O2
Molecular Weight440.88 g/mol
Exact Mass440.15
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1C(=O)N1CCCCC1
InChIInChI=1S/C19H23ClF2N6O2/c1-26-17(19(30)27-7-3-2-4-8-27)12(9-23-26)24-13(29)10-28-16(11-5-6-11)14(20)15(25-28)18(21)22/h9,11,18H,2-8,10H2,1H3,(H,24,29)
InChIKeySYWSJSLWDADOBZ-UHFFFAOYSA-N
XLogP3.35
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.88
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide (CID 19584805) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide is Cn1ncc(NC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)c1C(=O)N1CCCCC1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
The InChIKey is SYWSJSLWDADOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF2N6O2/c1-26-17(19(30)27-7-3-2-4-8-27)12(9-23-26)24-13(29)10-28-16(11-5-6-11)14(20)15(25-28)18(21)22/h9,11,18H,2-8,10H2,1H3,(H,24,29).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide has a molecular weight of 440.88 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[1-methyl-5-(piperidine-1-carbonyl)pyrazol-4-yl]acetamide is sourced from PubChem (CID 19584805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).