N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

C14H19F2N3OS — CID 43792476

IUPACN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)NCc2ccc(CSC(F)F)o2)cnn1C
InChIInChI=1S/C14H19F2N3OS/c1-9(13-7-18-19(3)10(13)2)17-6-11-4-5-12(20-11)8-21-14(15)16/h4-5,7,9,14,17H,6,8H2,1-3H3
InChIKeyNATGGXKNNAKOSX-UHFFFAOYSA-N
MW315.39 g/mol
LogP3.63
Rot. Bonds7

About N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine

N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine (PubChem CID 43792476) has the molecular formula C14H19F2N3OS and a molecular weight of 315.39 g/mol. Its IUPAC name is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
PubChem CID43792476
Molecular FormulaC14H19F2N3OS
Molecular Weight315.39 g/mol
Exact Mass315.12
IUPAC NameN-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine
SMILESCc1c(C(C)NCc2ccc(CSC(F)F)o2)cnn1C
InChIInChI=1S/C14H19F2N3OS/c1-9(13-7-18-19(3)10(13)2)17-6-11-4-5-12(20-11)8-21-14(15)16/h4-5,7,9,14,17H,6,8H2,1-3H3
InChIKeyNATGGXKNNAKOSX-UHFFFAOYSA-N
XLogP3.63
TPSA42.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.39
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]furan-2-carboxamide
CID 19468949
3-(3-Methyl-1H-pyrazol-1-YL)-N-[(5-methylfuran-2-YL)methyl]propanamide
CID 46339419
N-(furan-2-ylmethyl)-1-(2-methyl-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl)methanamine
CID 118745906
N-(furan-2-ylmethyl)-1-[2-(2-methoxyethyl)-5,7-dihydro-4H-pyrano[3,4-c]pyrazol-7-yl]methanamine
CID 118746323
1-(tert-butyl)-N-(2-furylmethyl)-5-(trifluoromethyl)-1H-pyrazole-4-carboxamide
CID 1478211
N-(2-furylmethyl)-N-[(5-methyl-1-propyl-1H-pyrazol-4-yl)methyl]butan-1-amine
CID 46989305
N-(furan-2-ylmethyl)-5-methyl-1-propan-2-yl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 49675648
N-[(5-ethylfuran-2-yl)methyl]-2-(1-methylpyrazol-4-yl)propan-2-amine
CID 75380815
1-(furan-2-yl)-N-[1-(1-propan-2-ylpyrazol-4-yl)ethyl]ethanamine
CID 75382469
N-[1-(5-ethylfuran-2-yl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)propan-1-amine
CID 86813483
(3S)-N-[(5-methylfuran-2-yl)methyl]-3-(3-methylpyrazol-1-yl)butanamide
CID 92708227
(2S)-N-(furan-2-ylmethyl)-1-(4-methylpyrazol-1-yl)propan-2-amine
CID 95290591

Frequently Asked Questions

What is the IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The IUPAC name of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine (CID 43792476) is N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine is Cc1c(C(C)NCc2ccc(CSC(F)F)o2)cnn1C.
What is the InChIKey of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
The InChIKey is NATGGXKNNAKOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F2N3OS/c1-9(13-7-18-19(3)10(13)2)17-6-11-4-5-12(20-11)8-21-14(15)16/h4-5,7,9,14,17H,6,8H2,1-3H3.
What are the key properties of N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine?
N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine has a molecular weight of 315.39 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(difluoromethylsulfanylmethyl)furan-2-yl]methyl]-1-(1,5-dimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 43792476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).