1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide

C17H21FN4O2 — CID 167826237

IUPAC1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide
SMILESCC(N)Cn1cc(C(=O)Nc2ccc(OCC3CC3)cc2F)cn1
InChIInChI=1S/C17H21FN4O2/c1-11(19)8-22-9-13(7-20-22)17(23)21-16-5-4-14(6-15(16)18)24-10-12-2-3-12/h4-7,9,11-12H,2-3,8,10,19H2,1H3,(H,21,23)
InChIKeyQIJYVXLWGISALA-UHFFFAOYSA-N
MW332.38 g/mol
LogP2.41
Rot. Bonds7

About 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide

1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide (PubChem CID 167826237) has the molecular formula C17H21FN4O2 and a molecular weight of 332.38 g/mol. Its IUPAC name is 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide
PubChem CID167826237
Molecular FormulaC17H21FN4O2
Molecular Weight332.38 g/mol
Exact Mass332.16
IUPAC Name1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide
SMILESCC(N)Cn1cc(C(=O)Nc2ccc(OCC3CC3)cc2F)cn1
InChIInChI=1S/C17H21FN4O2/c1-11(19)8-22-9-13(7-20-22)17(23)21-16-5-4-14(6-15(16)18)24-10-12-2-3-12/h4-7,9,11-12H,2-3,8,10,19H2,1H3,(H,21,23)
InChIKeyQIJYVXLWGISALA-UHFFFAOYSA-N
XLogP2.41
TPSA82.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.38
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminopropyl)-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrazole-4-carboxamide
CID 167825875
1-[4-(cyclopropylmethoxy)-2-fluorophenyl]ethanamine
CID 107715743
N-[3-(aminomethyl)-8-methylquinolin-7-yl]-4-(cyclopropylmethoxy)-2-fluorobenzamide
CID 58111704
N-(2,4-difluorophenyl)-1-methylpyrazole-4-carboxamide
CID 9209583
N-(2-carbamoyl-4-fluoro-5-methylphenyl)-1-(2-methylpropyl)pyrazole-4-carboxamide
CID 75501457
N-[2-(cyclopropylamino)-4-fluorophenyl]-1-ethylpyrazole-4-carboxamide
CID 71919554
2-[5-(cyclopropylmethoxy)-3-fluoro-2-pyridinyl]propanamide
CID 175704491
N-[[1-[[4-(cyclopropylmethoxy)phenyl]methyl]piperidin-4-yl]methyl]-1-methylpyrazole-4-carboxamide
CID 119048678
2-[4-(1-aminoethyl)-3-fluorophenoxy]-N-(cyclopropylmethyl)acetamide
CID 107716273
1-(2-aminopropyl)-N-(1-cyclopropyl-5-oxopyrrolidin-3-yl)pyrazole-4-carboxamide
CID 167870282
[(2S)-1-[[4-chloro-5-[[4-(cyclopropylmethoxy)benzoyl]amino]-2-pyridinyl]oxy]propan-2-yl]carbamic acid
CID 90354399
N-(4-amino-2-methoxyphenyl)-1-methylpyrazole-4-carboxamide
CID 28742335

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide?
The IUPAC name of 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide (CID 167826237) is 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide?
The canonical SMILES for 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide is CC(N)Cn1cc(C(=O)Nc2ccc(OCC3CC3)cc2F)cn1.
What is the InChIKey of 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide?
The InChIKey is QIJYVXLWGISALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21FN4O2/c1-11(19)8-22-9-13(7-20-22)17(23)21-16-5-4-14(6-15(16)18)24-10-12-2-3-12/h4-7,9,11-12H,2-3,8,10,19H2,1H3,(H,21,23).
What are the key properties of 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide?
1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide has a molecular weight of 332.38 g/mol, XLogP of 2.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminopropyl)-N-[4-(cyclopropylmethoxy)-2-fluorophenyl]pyrazole-4-carboxamide is sourced from PubChem (CID 167826237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).