1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride

C13H21ClFN5 — CID 126964190

IUPAC1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCc1c(CNc2cnn(CCF)c2)cnn1C(C)C.Cl
InChIInChI=1S/C13H20FN5.ClH/c1-10(2)19-11(3)12(7-17-19)6-15-13-8-16-18(9-13)5-4-14;/h7-10,15H,4-6H2,1-3H3;1H
InChIKeyHKVHXJSBSFDLIC-UHFFFAOYSA-N
MW301.80 g/mol
LogP2.97
Rot. Bonds6

About 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride

1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (PubChem CID 126964190) has the molecular formula C13H21ClFN5 and a molecular weight of 301.80 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.

Molecular Properties

Compound Name1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
PubChem CID126964190
Molecular FormulaC13H21ClFN5
Molecular Weight301.80 g/mol
Exact Mass301.15
IUPAC Name1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
SMILESCc1c(CNc2cnn(CCF)c2)cnn1C(C)C.Cl
InChIInChI=1S/C13H20FN5.ClH/c1-10(2)19-11(3)12(7-17-19)6-15-13-8-16-18(9-13)5-4-14;/h7-10,15H,4-6H2,1-3H3;1H
InChIKeyHKVHXJSBSFDLIC-UHFFFAOYSA-N
XLogP2.97
TPSA47.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride with MolForge

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Related Compounds

N-[(1-ethyl-4-methylpyrazol-5-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126964764
1-(2-fluoroethyl)-N-[(1-methylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126967961
N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]-1-(1-propylpyrazol-4-yl)methanamine
CID 122167320
N-[(1-cyclopentyl-3-methylpyrazol-4-yl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine;hydrochloride
CID 126966176
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965016
1-(2-fluoroethyl)-N-[(5-fluorothiophen-2-yl)methyl]pyrazol-4-amine
CID 122169295
N-[(5-fluoro-1-methylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine;hydrochloride
CID 171156667
N-[(4-bromophenyl)methyl]-1-(2-fluoroethyl)pyrazol-4-amine
CID 154866077
N-[(3-methyl-1-propylpyrazol-4-yl)methyl]-1-propylpyrazol-4-amine
CID 122167629
1-(2,2-difluoroethyl)-N-[(3-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine
CID 122167550
2-[[(1-propylpyrazol-4-yl)amino]methyl]phenol;hydrochloride
CID 126965558
1-propyl-N-[(1-propylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride
CID 126965152

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The IUPAC name of 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride (CID 126964190) is 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride.
What is the SMILES notation for 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The canonical SMILES for 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is Cc1c(CNc2cnn(CCF)c2)cnn1C(C)C.Cl.
What is the InChIKey of 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
The InChIKey is HKVHXJSBSFDLIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FN5.ClH/c1-10(2)19-11(3)12(7-17-19)6-15-13-8-16-18(9-13)5-4-14;/h7-10,15H,4-6H2,1-3H3;1H.
What are the key properties of 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride?
1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 2.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-N-[(5-methyl-1-propan-2-ylpyrazol-4-yl)methyl]pyrazol-4-amine;hydrochloride is sourced from PubChem (CID 126964190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).