N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

C12H21F2N3 — CID 66439923

IUPACN-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCCn1ncc(CNCC(C)C)c1C(F)F
InChIInChI=1S/C12H21F2N3/c1-4-5-17-11(12(13)14)10(8-16-17)7-15-6-9(2)3/h8-9,12,15H,4-7H2,1-3H3
InChIKeyWLGRFBKNDCYFEF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.98
Rot. Bonds7

About N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine

N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (PubChem CID 66439923) has the molecular formula C12H21F2N3 and a molecular weight of 245.32 g/mol. Its IUPAC name is N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.

Molecular Properties

Compound NameN-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
PubChem CID66439923
Molecular FormulaC12H21F2N3
Molecular Weight245.32 g/mol
Exact Mass245.17
IUPAC NameN-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
SMILESCCCn1ncc(CNCC(C)C)c1C(F)F
InChIInChI=1S/C12H21F2N3/c1-4-5-17-11(12(13)14)10(8-16-17)7-15-6-9(2)3/h8-9,12,15H,4-7H2,1-3H3
InChIKeyWLGRFBKNDCYFEF-UHFFFAOYSA-N
XLogP2.98
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-cycloheptyl-5-(difluoromethyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66440943
2-methyl-N-[(3-propyltriazol-4-yl)methyl]propan-1-amine
CID 114687773
1-[5-(difluoromethyl)-1-(2-methylpropyl)pyrazol-4-yl]-N-methylmethanamine
CID 66440093
N-[[1-[2-(dimethylamino)ethyl]-5-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66441173
1-[5-(difluoromethyl)-1-ethylpyrazol-4-yl]-N-methylmethanamine
CID 66442333
N-[[5-(difluoromethyl)-1-(3-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66442168
N-[[1-(2-ethylbutyl)-5-methylpyrazol-4-yl]methyl]-2-methylpropan-1-amine
CID 82925221
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 126964678
N-[[5-(difluoromethyl)-1-ethylpyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66441934
4-[(2-methylpropylamino)methyl]-6-propan-2-yl-2-propylpyridazin-3-one
CID 82443259
4-(chloromethyl)-5-propan-2-yl-1-propylpyrazole
CID 66437944
6-methyl-4-[(2-methylpropylamino)methyl]-2-propylpyridazin-3-one
CID 82442791

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The IUPAC name of N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine (CID 66439923) is N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine.
What is the SMILES notation for N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The canonical SMILES for N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is CCCn1ncc(CNCC(C)C)c1C(F)F.
What is the InChIKey of N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
The InChIKey is WLGRFBKNDCYFEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21F2N3/c1-4-5-17-11(12(13)14)10(8-16-17)7-15-6-9(2)3/h8-9,12,15H,4-7H2,1-3H3.
What are the key properties of N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine?
N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine has a molecular weight of 245.32 g/mol, XLogP of 2.98, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethyl)-1-propylpyrazol-4-yl]methyl]-2-methylpropan-1-amine is sourced from PubChem (CID 66439923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).