N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine

C13H14FN3 — CID 61270957

IUPACN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(-n2cc(CNC3CC3)cn2)cc1
InChIInChI=1S/C13H14FN3/c14-11-1-5-13(6-2-11)17-9-10(8-16-17)7-15-12-3-4-12/h1-2,5-6,8-9,12,15H,3-4,7H2
InChIKeyMHJRBPQMQCSRLF-UHFFFAOYSA-N
MW231.27 g/mol
LogP2.26
Rot. Bonds4

About N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 61270957) has the molecular formula C13H14FN3 and a molecular weight of 231.27 g/mol. Its IUPAC name is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
PubChem CID61270957
Molecular FormulaC13H14FN3
Molecular Weight231.27 g/mol
Exact Mass231.12
IUPAC NameN-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
SMILESFc1ccc(-n2cc(CNC3CC3)cn2)cc1
InChIInChI=1S/C13H14FN3/c14-11-1-5-13(6-2-11)17-9-10(8-16-17)7-15-12-3-4-12/h1-2,5-6,8-9,12,15H,3-4,7H2
InChIKeyMHJRBPQMQCSRLF-UHFFFAOYSA-N
XLogP2.26
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.27
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-cyclopropyl-2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-1-ol
CID 111977150
N-[[1-(3-chlorophenyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 61270362
1-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]propan-2-ol
CID 110931852
2,2,6,6-tetramethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-4-amine
CID 119108580
4-[(1-phenylpyrazol-4-yl)methylamino]pyrrolidin-2-one
CID 106183796
(1S,3S,4S)-3-amino-N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]-4-hydroxycyclopentane-1-carboxamide
CID 154818179
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-2-methylbutan-1-ol
CID 111440130
3-(cyclopropylamino)-N-[(1-phenylpyrazol-4-yl)methyl]propanamide
CID 61259059
2-[[1-(4-fluorophenyl)pyrazol-4-yl]methylamino]-4-methylpentan-1-ol
CID 110931861
trans-(1S,2S)-2-[[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]methylamino]cyclopentan-1-ol
CID 100632539
2,6-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]piperidin-1-amine
CID 83009169
N-[[1-[(3,4-difluorophenyl)methyl]pyrazol-4-yl]methyl]cyclopropanamine
CID 82930291

Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine (CID 61270957) is N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine is Fc1ccc(-n2cc(CNC3CC3)cn2)cc1.
What is the InChIKey of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is MHJRBPQMQCSRLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3/c14-11-1-5-13(6-2-11)17-9-10(8-16-17)7-15-12-3-4-12/h1-2,5-6,8-9,12,15H,3-4,7H2.
What are the key properties of N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 231.27 g/mol, XLogP of 2.26, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-fluorophenyl)pyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 61270957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).