2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride

C7H10ClF3N4O — CID 75449518

IUPAC2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cc(C(F)(F)F)[nH]n1.Cl
InChIInChI=1S/C7H9F3N4O.ClH/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10;/h2-3H,11H2,1H3,(H2,12,13,14,15);1H
InChIKeyRHABRZHGJLGMAV-UHFFFAOYSA-N
MW258.63 g/mol
LogP1.14
Rot. Bonds2

About 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride

2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride (PubChem CID 75449518) has the molecular formula C7H10ClF3N4O and a molecular weight of 258.63 g/mol. Its IUPAC name is 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
PubChem CID75449518
Molecular FormulaC7H10ClF3N4O
Molecular Weight258.63 g/mol
Exact Mass258.05
IUPAC Name2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride
SMILESCC(N)C(=O)Nc1cc(C(F)(F)F)[nH]n1.Cl
InChIInChI=1S/C7H9F3N4O.ClH/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10;/h2-3H,11H2,1H3,(H2,12,13,14,15);1H
InChIKeyRHABRZHGJLGMAV-UHFFFAOYSA-N
XLogP1.14
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.63
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 5330971
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CID 56965660
N-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-amine
CID 56965643
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CID 68818176
N-[N'-ethenyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]carbamimidoyl]acetamide
CID 118154817
N-methyl-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]pentanamide
CID 145225439
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CID 160343633

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride?
The IUPAC name of 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride (CID 75449518) is 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride.
What is the SMILES notation for 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride?
The canonical SMILES for 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride is CC(N)C(=O)Nc1cc(C(F)(F)F)[nH]n1.Cl.
What is the InChIKey of 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride?
The InChIKey is RHABRZHGJLGMAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F3N4O.ClH/c1-3(11)6(15)12-5-2-4(13-14-5)7(8,9)10;/h2-3H,11H2,1H3,(H2,12,13,14,15);1H.
What are the key properties of 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride?
2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride has a molecular weight of 258.63 g/mol, XLogP of 1.14, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-(trifluoromethyl)-1H-pyrazol-3-yl]propanamide;hydrochloride is sourced from PubChem (CID 75449518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).