3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

C20H26ClFN4O — CID 119729016

IUPAC3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1c(C(C)NC(=O)C2C3CCC(C3)C2N)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H25FN4O.ClH/c1-11(24-20(26)18-13-3-4-14(9-13)19(18)22)17-10-23-25(12(17)2)16-7-5-15(21)6-8-16;/h5-8,10-11,13-14,18-19H,3-4,9,22H2,1-2H3,(H,24,26);1H
InChIKeyUYWRXKWAMCFLPE-UHFFFAOYSA-N
MW392.91 g/mol
LogP3.29
Rot. Bonds4

About 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride

3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (PubChem CID 119729016) has the molecular formula C20H26ClFN4O and a molecular weight of 392.91 g/mol. Its IUPAC name is 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.

Molecular Properties

Compound Name3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
PubChem CID119729016
Molecular FormulaC20H26ClFN4O
Molecular Weight392.91 g/mol
Exact Mass392.18
IUPAC Name3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
SMILESCc1c(C(C)NC(=O)C2C3CCC(C3)C2N)cnn1-c1ccc(F)cc1.Cl
InChIInChI=1S/C20H25FN4O.ClH/c1-11(24-20(26)18-13-3-4-14(9-13)19(18)22)17-10-23-25(12(17)2)16-7-5-15(21)6-8-16;/h5-8,10-11,13-14,18-19H,3-4,9,22H2,1-2H3,(H,24,26);1H
InChIKeyUYWRXKWAMCFLPE-UHFFFAOYSA-N
XLogP3.29
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]pyrrolidine-2-carboxamide;hydrochloride
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1-[(1S)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-(oxan-4-yl)urea
CID 129370928
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CID 119729044
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3-amino-N-[1-(2-pyrazol-1-ylphenyl)ethyl]bicyclo[2.2.1]heptane-2-carboxamide
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CID 51938669
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729024
N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]-1-(3-phenoxypropanoyl)piperidine-4-carboxamide
CID 55885634
3-amino-N-(1-phenylethyl)bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride
CID 119669695
(2S)-N-[2-[[(1R)-1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]-2-oxoethyl]-2-methylbutanamide
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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The IUPAC name of 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride (CID 119729016) is 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride.
What is the SMILES notation for 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The canonical SMILES for 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is Cc1c(C(C)NC(=O)C2C3CCC(C3)C2N)cnn1-c1ccc(F)cc1.Cl.
What is the InChIKey of 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
The InChIKey is UYWRXKWAMCFLPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN4O.ClH/c1-11(24-20(26)18-13-3-4-14(9-13)19(18)22)17-10-23-25(12(17)2)16-7-5-15(21)6-8-16;/h5-8,10-11,13-14,18-19H,3-4,9,22H2,1-2H3,(H,24,26);1H.
What are the key properties of 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride?
3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride has a molecular weight of 392.91 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethyl]bicyclo[2.2.1]heptane-2-carboxamide;hydrochloride is sourced from PubChem (CID 119729016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).