1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine

C17H23FN4 — CID 120843387

IUPAC1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1
InChIInChI=1S/C17H23FN4/c1-13(19)16-6-7-21(12-16)9-15-8-20-22(11-15)10-14-2-4-17(18)5-3-14/h2-5,8,11,13,16H,6-7,9-10,12,19H2,1H3
InChIKeyNJUQFAUPVQWRBG-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.24
Rot. Bonds5

About 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine

1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine (PubChem CID 120843387) has the molecular formula C17H23FN4 and a molecular weight of 302.40 g/mol. Its IUPAC name is 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine.

Molecular Properties

Compound Name1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
PubChem CID120843387
Molecular FormulaC17H23FN4
Molecular Weight302.40 g/mol
Exact Mass302.19
IUPAC Name1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine
SMILESCC(N)C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1
InChIInChI=1S/C17H23FN4/c1-13(19)16-6-7-21(12-16)9-15-8-20-22(11-15)10-14-2-4-17(18)5-3-14/h2-5,8,11,13,16H,6-7,9-10,12,19H2,1H3
InChIKeyNJUQFAUPVQWRBG-UHFFFAOYSA-N
XLogP2.24
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-amine;hydrochloride
CID 120837476
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]piperidin-4-amine
CID 120834479
1-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 83980773
1-[1-[(6-chloro-3-pyridinyl)methyl]pyrrolidin-3-yl]ethanamine
CID 112630186
1-[1-[[4-(trifluoromethyl)phenyl]methyl]pyrrolidin-3-yl]ethanamine
CID 112630040
1-[1-[(4-cyclopropylphenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 103975660
1-[1-[(4-chloro-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 113360661
(1S)-1-[(3S)-1-benzylpyrrolidin-3-yl]ethanamine;dihydrochloride
CID 71741811
1-[1-[(4-fluorophenyl)methyl]pyrrolidin-3-yl]propan-2-amine
CID 83986159
4-[[3-(1-aminoethyl)pyrrolidin-1-yl]methyl]benzamide
CID 112630317
1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]-4-(1,2,4-triazol-1-yl)piperidine
CID 99829138
1-[1-[(4-ethoxy-3-fluorophenyl)methyl]pyrrolidin-3-yl]ethanamine
CID 120843364

Frequently Asked Questions

What is the IUPAC name of 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine?
The IUPAC name of 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine (CID 120843387) is 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine.
What is the SMILES notation for 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine?
The canonical SMILES for 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine is CC(N)C1CCN(Cc2cnn(Cc3ccc(F)cc3)c2)C1.
What is the InChIKey of 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine?
The InChIKey is NJUQFAUPVQWRBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23FN4/c1-13(19)16-6-7-21(12-16)9-15-8-20-22(11-15)10-14-2-4-17(18)5-3-14/h2-5,8,11,13,16H,6-7,9-10,12,19H2,1H3.
What are the key properties of 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine?
1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine has a molecular weight of 302.40 g/mol, XLogP of 2.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methyl]pyrrolidin-3-yl]ethanamine is sourced from PubChem (CID 120843387), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).