2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

C34H30Cl2F2N10O2 — CID 177025869

IUPAC2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1cc(C2CC2)[nH]n1.O=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/2C17H15ClFN5O/c2*18-13-8-12(3-4-14(13)19)24-6-5-11(23-24)7-17(25)20-16-9-15(21-22-16)10-1-2-10/h2*3-6,8-10H,1-2,7H2,(H2,20,21,22,25)
InChIKeyVARWBALDQUNYEE-UHFFFAOYSA-N
MW719.58 g/mol
LogP6.89
Rot. Bonds10

About 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide

2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (PubChem CID 177025869) has the molecular formula C34H30Cl2F2N10O2 and a molecular weight of 719.58 g/mol. Its IUPAC name is 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
PubChem CID177025869
Molecular FormulaC34H30Cl2F2N10O2
Molecular Weight719.58 g/mol
Exact Mass718.19
IUPAC Name2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
SMILESO=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1cc(C2CC2)[nH]n1.O=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1cc(C2CC2)[nH]n1
InChIInChI=1S/2C17H15ClFN5O/c2*18-13-8-12(3-4-14(13)19)24-6-5-11(23-24)7-17(25)20-16-9-15(21-22-16)10-1-2-10/h2*3-6,8-10H,1-2,7H2,(H2,20,21,22,25)
InChIKeyVARWBALDQUNYEE-UHFFFAOYSA-N
XLogP6.89
TPSA151.20 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms50
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500719.58
LogP ≤ 56.89
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Related Compounds

2-[4-(3-chloro-4-fluorophenyl)phenyl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide
CID 22176703
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[1-(4-methyl-2-pyridinyl)pyrazol-3-yl]acetamide
CID 177025874
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(2,3,6-trifluorophenyl)acetamide
CID 22176952
2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide;2-[1-(4-methylphenyl)pyrazol-3-yl]-N-[5-(trifluoromethyl)-1,3-thiazol-2-yl]acetamide
CID 177025858
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-(4-oxoquinolin-1-yl)acetamide
CID 99784300
N-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-2-yl)-2-[1-(4-fluorophenyl)pyrazol-3-yl]acetamide
CID 166287093
N-(5-cyclopropyl-1H-pyrazol-3-yl)-1-(4-fluorophenyl)-6-oxopyridazine-3-carboxamide
CID 136523539
N-[4-[2-[(5-cyclopropyl-1H-pyrazol-3-yl)amino]-2-oxoethyl]phenyl]pyrrolidine-1-carboxamide
CID 22177019
1-(4-chlorophenyl)-N-(5-cyclopropyl-1H-pyrazol-3-yl)cyclopentane-1-carboxamide
CID 22176751
N-(5-cyclopropyl-1H-pyrazol-3-yl)-2-[[2-(3,4-difluorophenyl)acetyl]amino]propanamide
CID 90932431
N-[5-[1-(3-chloro-4-ethoxy-5-fluorobenzoyl)piperidin-2-yl]-1H-pyrazol-3-yl]-2-(1-methylpyrazol-3-yl)acetamide
CID 171705710
2-(4-aminophenyl)-N-(5-cyclopentyl-1H-pyrazol-3-yl)acetamide
CID 18423577

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The IUPAC name of 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide (CID 177025869) is 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide.
What is the SMILES notation for 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The canonical SMILES for 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is O=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1cc(C2CC2)[nH]n1.O=C(Cc1ccn(-c2ccc(F)c(Cl)c2)n1)Nc1cc(C2CC2)[nH]n1.
What is the InChIKey of 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
The InChIKey is VARWBALDQUNYEE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H15ClFN5O/c2*18-13-8-12(3-4-14(13)19)24-6-5-11(23-24)7-17(25)20-16-9-15(21-22-16)10-1-2-10/h2*3-6,8-10H,1-2,7H2,(H2,20,21,22,25).
What are the key properties of 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide?
2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide has a molecular weight of 719.58 g/mol, XLogP of 6.89, 10 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3-chloro-4-fluorophenyl)pyrazol-3-yl]-N-(5-cyclopropyl-1H-pyrazol-3-yl)acetamide is sourced from PubChem (CID 177025869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).