N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine

C9H15F2N3 — CID 138648672

IUPACN-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESCC(C)(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C9H15F2N3/c1-9(2,3)12-8-4-5-14(13-8)6-7(10)11/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyGKAJPDCUQHFDNQ-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.36
Rot. Bonds3

About N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine

N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine (PubChem CID 138648672) has the molecular formula C9H15F2N3 and a molecular weight of 203.24 g/mol. Its IUPAC name is N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine.

Molecular Properties

Compound NameN-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine
PubChem CID138648672
Molecular FormulaC9H15F2N3
Molecular Weight203.24 g/mol
Exact Mass203.12
IUPAC NameN-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine
SMILESCC(C)(C)Nc1ccn(CC(F)F)n1
InChIInChI=1S/C9H15F2N3/c1-9(2,3)12-8-4-5-14(13-8)6-7(10)11/h4-5,7H,6H2,1-3H3,(H,12,13)
InChIKeyGKAJPDCUQHFDNQ-UHFFFAOYSA-N
XLogP2.36
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-Ethyl-1H-pyrazol-5-amine
CID 337310
1-(propan-2-yl)-1H-pyrazol-5-amine
CID 1090341
1-ethyl-1H-pyrazol-3-amine
CID 12198109
1-(butan-2-yl)-1H-pyrazol-5-amine
CID 3762483
1-(2-methylpropyl)-1H-pyrazol-5-amine
CID 4962021
1-(propan-2-yl)-1H-pyrazol-3-amine
CID 19576797
1-Butyl-1H-pyrazol-5-amine
CID 642216
1-Propyl-1H-pyrazol-5-amine
CID 1084923
1-propyl-1H-pyrazol-3-amine
CID 7017771
1-tert-Butyl-1H-pyrazol-3-amine
CID 13217572
1-(2,2,2-trifluoroethyl)-1H-pyrazol-3-amine
CID 19576777
1-(2-methylpropyl)-1H-pyrazol-3-amine
CID 19619839

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine?
The IUPAC name of N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine (CID 138648672) is N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine.
What is the SMILES notation for N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine?
The canonical SMILES for N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine is CC(C)(C)Nc1ccn(CC(F)F)n1.
What is the InChIKey of N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine?
The InChIKey is GKAJPDCUQHFDNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15F2N3/c1-9(2,3)12-8-4-5-14(13-8)6-7(10)11/h4-5,7H,6H2,1-3H3,(H,12,13).
What are the key properties of N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine?
N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine has a molecular weight of 203.24 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2,2-difluoroethyl)pyrazol-3-amine is sourced from PubChem (CID 138648672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).