N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

C14H22F2N4O — CID 119575428

IUPACN-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C14H22F2N4O/c1-8-11(9(2)20(19-8)13(15)16)6-12(21)18-14(3,7-17)10-4-5-10/h10,13H,4-7,17H2,1-3H3,(H,18,21)
InChIKeyXZGVCCMKJXNHLK-UHFFFAOYSA-N
MW300.35 g/mol
LogP1.68
Rot. Bonds6

About N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide

N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (PubChem CID 119575428) has the molecular formula C14H22F2N4O and a molecular weight of 300.35 g/mol. Its IUPAC name is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
PubChem CID119575428
Molecular FormulaC14H22F2N4O
Molecular Weight300.35 g/mol
Exact Mass300.18
IUPAC NameN-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide
SMILESCc1nn(C(F)F)c(C)c1CC(=O)NC(C)(CN)C1CC1
InChIInChI=1S/C14H22F2N4O/c1-8-11(9(2)20(19-8)13(15)16)6-12(21)18-14(3,7-17)10-4-5-10/h10,13H,4-7,17H2,1-3H3,(H,18,21)
InChIKeyXZGVCCMKJXNHLK-UHFFFAOYSA-N
XLogP1.68
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The IUPAC name of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide (CID 119575428) is N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide.
What is the SMILES notation for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The canonical SMILES for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is Cc1nn(C(F)F)c(C)c1CC(=O)NC(C)(CN)C1CC1.
What is the InChIKey of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
The InChIKey is XZGVCCMKJXNHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22F2N4O/c1-8-11(9(2)20(19-8)13(15)16)6-12(21)18-14(3,7-17)10-4-5-10/h10,13H,4-7,17H2,1-3H3,(H,18,21).
What are the key properties of N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide?
N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide has a molecular weight of 300.35 g/mol, XLogP of 1.68, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-2-cyclopropylpropan-2-yl)-2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]acetamide is sourced from PubChem (CID 119575428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).