N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine

C14H17BrN4 — CID 62293572

IUPACN-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1nn(-c2ccnc(CNC3CC3)c2)c(C)c1Br
InChIInChI=1S/C14H17BrN4/c1-9-14(15)10(2)19(18-9)13-5-6-16-12(7-13)8-17-11-3-4-11/h5-7,11,17H,3-4,8H2,1-2H3
InChIKeyMUHFMOFQCVMTHD-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.90
Rot. Bonds4

About N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine

N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine (PubChem CID 62293572) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
PubChem CID62293572
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC NameN-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
SMILESCc1nn(-c2ccnc(CNC3CC3)c2)c(C)c1Br
InChIInChI=1S/C14H17BrN4/c1-9-14(15)10(2)19(18-9)13-5-6-16-12(7-13)8-17-11-3-4-11/h5-7,11,17H,3-4,8H2,1-2H3
InChIKeyMUHFMOFQCVMTHD-UHFFFAOYSA-N
XLogP2.90
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]-2-methylpropan-2-amine
CID 62293574
N-[[6-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 55059405
N-[[4-(3,4-dimethylpyrrolidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 79184228
N-[[4-(4-propan-2-ylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 103503016
N-[[4-(4-bromo-3,5-dimethylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 107726012
N-[[4-(3-methylpiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62284581
N-[[4-(4-ethoxypiperidin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62281766
2-[(cyclopropylamino)methyl]-N-(3,5-dimethylphenyl)-N-methylpyridin-4-amine
CID 62293645
N-[(5-bromothiophen-3-yl)methyl]-2-[(cyclopropylamino)methyl]-N-methylpyridin-4-amine
CID 62287412
N-[[4-(4-tert-butyl-3,6-dihydro-2H-pyridin-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 114460779
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-2-methylfuran-3-yl]methyl]cyclopropanamine
CID 62446739
N-[[4-(2-methylphenoxy)-2-pyridinyl]methyl]cyclopropanamine
CID 62295755

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The IUPAC name of N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine (CID 62293572) is N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The canonical SMILES for N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine is Cc1nn(-c2ccnc(CNC3CC3)c2)c(C)c1Br.
What is the InChIKey of N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
The InChIKey is MUHFMOFQCVMTHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c1-9-14(15)10(2)19(18-9)13-5-6-16-12(7-13)8-17-11-3-4-11/h5-7,11,17H,3-4,8H2,1-2H3.
What are the key properties of N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine?
N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine has a molecular weight of 321.22 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine is sourced from PubChem (CID 62293572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).