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

C16H20ClF2N5O — CID 19323798

IUPAC2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1ccn(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)n1
InChIInChI=1S/C16H20ClF2N5O/c1-10-5-8-23(21-10)7-2-6-20-12(25)9-24-15(11-3-4-11)13(17)14(22-24)16(18)19/h5,8,11,16H,2-4,6-7,9H2,1H3,(H,20,25)
InChIKeyFVXIMWVJWWIABR-UHFFFAOYSA-N
MW371.82 g/mol
LogP3.06
Rot. Bonds8

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

2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide (PubChem CID 19323798) 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-(3-methylpyrazol-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
PubChem CID19323798
Molecular FormulaC16H20ClF2N5O
Molecular Weight371.82 g/mol
Exact Mass371.13
IUPAC Name2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide
SMILESCc1ccn(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)n1
InChIInChI=1S/C16H20ClF2N5O/c1-10-5-8-23(21-10)7-2-6-20-12(25)9-24-15(11-3-4-11)13(17)14(22-24)16(18)19/h5,8,11,16H,2-4,6-7,9H2,1H3,(H,20,25)
InChIKeyFVXIMWVJWWIABR-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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Related Compounds

2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-dimethyl-1H-pyrazol-4-yl)acetamide
CID 843837
2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]acetamide
CID 4765525
3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770006
3-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]-N-[(2-methylpyrazol-3-yl)methyl]propanamide
CID 4770840
2-[5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[(1-ethyl-1H-pyrazol-4-yl)methyl]acetamide
CID 843910
2-[5-Cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-YL]-N~1~-(1,5-dimethyl-1H-pyrazol-4-YL)acetamide
CID 843717
2-[4-chloro-5-cyclopropyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-1-{4-[(1-ethyl-5-methyl-1H-pyrazol-4-yl)methyl]piperazin-1-yl}ethanone
CID 4770724
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485
3-[4-chloro-5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-[3-(5-methyl-1H-pyrazol-1-yl)propyl]propanamide
CID 17021840
2-[3-(difluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-N-[(2R)-3,3-dimethyl-1-pyrazol-1-ylbutan-2-yl]acetamide
CID 51853081
2-[3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]acetamide
CID 56869396
2-(4-chloro-3-methyl-1H-pyrazol-1-yl)-N-[1-(1-methyl-1H-pyrazol-5-yl)propyl]acetamide
CID 91797470

Frequently Asked Questions

What is the IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide?
The IUPAC name of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide (CID 19323798) is 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide?
The canonical SMILES for 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide is Cc1ccn(CCCNC(=O)Cn2nc(C(F)F)c(Cl)c2C2CC2)n1.
What is the InChIKey of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide?
The InChIKey is FVXIMWVJWWIABR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClF2N5O/c1-10-5-8-23(21-10)7-2-6-20-12(25)9-24-15(11-3-4-11)13(17)14(22-24)16(18)19/h5,8,11,16H,2-4,6-7,9H2,1H3,(H,20,25).
What are the key properties of 2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-methylpyrazol-1-yl)propyl]acetamide?
2-[4-chloro-5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]-N-[3-(3-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-(3-methylpyrazol-1-yl)propyl]acetamide is sourced from PubChem (CID 19323798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).