3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride

C13H20Cl2F3N5O — CID 120812452

IUPAC3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1cc(Cl)cn1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H19ClF3N5O.ClH/c14-10-7-20-22(9-10)4-1-12(23)19-8-11(13(15,16)17)21-5-2-18-3-6-21;/h7,9,11,18H,1-6,8H2,(H,19,23);1H
InChIKeyYZWSVLBQDFWEAZ-UHFFFAOYSA-N
MW390.24 g/mol
LogP1.30
Rot. Bonds6

About 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride

3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride (PubChem CID 120812452) has the molecular formula C13H20Cl2F3N5O and a molecular weight of 390.24 g/mol. Its IUPAC name is 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride.

Molecular Properties

Compound Name3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
PubChem CID120812452
Molecular FormulaC13H20Cl2F3N5O
Molecular Weight390.24 g/mol
Exact Mass389.10
IUPAC Name3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride
SMILESCl.O=C(CCn1cc(Cl)cn1)NCC(N1CCNCC1)C(F)(F)F
InChIInChI=1S/C13H19ClF3N5O.ClH/c14-10-7-20-22(9-10)4-1-12(23)19-8-11(13(15,16)17)21-5-2-18-3-6-21;/h7,9,11,18H,1-6,8H2,(H,19,23);1H
InChIKeyYZWSVLBQDFWEAZ-UHFFFAOYSA-N
XLogP1.30
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.24
LogP ≤ 51.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-(4-chloro-1H-pyrazol-1-yl)propanoyl]azepan-3-amine
CID 70719252
N-[(1S*,2R*)-2-aminocyclobutyl]-3-(4-chloro-1H-pyrazol-1-yl)propanamide
CID 56903276
N-[2-(4-chloro-1H-pyrazol-1-yl)ethyl]-2-(1-isopropyl-4-piperidinyl)acetamide
CID 72845963
1-[(3S)-3-pyrazol-1-ylpiperidin-1-yl]-3-(2,2,2-trifluoroethylamino)propan-1-one
CID 95598303
(2S)-1-[3-(4-chloropyrazol-1-yl)propanoyl]-N-cyclopropylpiperazine-2-carboxamide
CID 95707097
(2S)-2-(4-chloropyrazol-1-yl)-N-[2-[ethyl(methyl)amino]-2-methylpropyl]propanamide
CID 125161578
2-(4-chloropyrazol-1-yl)-N-(3,4,4-trifluorobut-3-enyl)acetamide
CID 163220331
2-(4-chloropyrazol-1-yl)-N-(4,4-difluorobut-3-enyl)acetamide
CID 163220333
N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,2-trifluoroacetamide
CID 19283453
N-[2-(4-chloropyrazol-1-yl)ethyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19283458
N-[3-(4-chloropyrazol-1-yl)propyl]-2,2,2-trifluoroacetamide
CID 19330317
N-[3-(4-chloropyrazol-1-yl)propyl]-2,2,3,3,4,4,4-heptafluorobutanamide
CID 19330318

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride?
The IUPAC name of 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride (CID 120812452) is 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride.
What is the SMILES notation for 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride?
The canonical SMILES for 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride is Cl.O=C(CCn1cc(Cl)cn1)NCC(N1CCNCC1)C(F)(F)F.
What is the InChIKey of 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride?
The InChIKey is YZWSVLBQDFWEAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19ClF3N5O.ClH/c14-10-7-20-22(9-10)4-1-12(23)19-8-11(13(15,16)17)21-5-2-18-3-6-21;/h7,9,11,18H,1-6,8H2,(H,19,23);1H.
What are the key properties of 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride?
3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride has a molecular weight of 390.24 g/mol, XLogP of 1.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloropyrazol-1-yl)-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)propanamide;hydrochloride is sourced from PubChem (CID 120812452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).