4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide

C14H16F2N6O2 — CID 19412296

IUPAC4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C(N)=O
InChIInChI=1S/C14H16F2N6O2/c1-21-12(14(17)24)9(5-18-21)19-11(23)6-22-10(7-2-3-7)4-8(20-22)13(15)16/h4-5,7,13H,2-3,6H2,1H3,(H2,17,24)(H,19,23)
InChIKeyIJWQTXSJRFAFKT-UHFFFAOYSA-N
MW338.32 g/mol
LogP1.17
Rot. Bonds6

About 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide

4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide (PubChem CID 19412296) has the molecular formula C14H16F2N6O2 and a molecular weight of 338.32 g/mol. Its IUPAC name is 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
PubChem CID19412296
Molecular FormulaC14H16F2N6O2
Molecular Weight338.32 g/mol
Exact Mass338.13
IUPAC Name4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide
SMILESCn1ncc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C(N)=O
InChIInChI=1S/C14H16F2N6O2/c1-21-12(14(17)24)9(5-18-21)19-11(23)6-22-10(7-2-3-7)4-8(20-22)13(15)16/h4-5,7,13H,2-3,6H2,1H3,(H2,17,24)(H,19,23)
InChIKeyIJWQTXSJRFAFKT-UHFFFAOYSA-N
XLogP1.17
TPSA107.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.32
LogP ≤ 51.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide (CID 19412296) is 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide is Cn1ncc(NC(=O)Cn2nc(C(F)F)cc2C2CC2)c1C(N)=O.
What is the InChIKey of 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
The InChIKey is IJWQTXSJRFAFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F2N6O2/c1-21-12(14(17)24)9(5-18-21)19-11(23)6-22-10(7-2-3-7)4-8(20-22)13(15)16/h4-5,7,13H,2-3,6H2,1H3,(H2,17,24)(H,19,23).
What are the key properties of 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide?
4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide has a molecular weight of 338.32 g/mol, XLogP of 1.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[5-cyclopropyl-3-(difluoromethyl)pyrazol-1-yl]acetyl]amino]-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 19412296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).