N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine

C15H21N5 — CID 107431061

IUPACN-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCc1nn(-c2ncccn2)c(CC)c1CNC1CC1
InChIInChI=1S/C15H21N5/c1-3-13-12(10-18-11-6-7-11)14(4-2)20(19-13)15-16-8-5-9-17-15/h5,8-9,11,18H,3-4,6-7,10H2,1-2H3
InChIKeyFFDMXPMEPZTGDL-UHFFFAOYSA-N
MW271.37 g/mol
LogP2.04
Rot. Bonds6

About N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine

N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine (PubChem CID 107431061) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
PubChem CID107431061
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
SMILESCCc1nn(-c2ncccn2)c(CC)c1CNC1CC1
InChIInChI=1S/C15H21N5/c1-3-13-12(10-18-11-6-7-11)14(4-2)20(19-13)15-16-8-5-9-17-15/h5,8-9,11,18H,3-4,6-7,10H2,1-2H3
InChIKeyFFDMXPMEPZTGDL-UHFFFAOYSA-N
XLogP2.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3,5-diethyl-1-pyrazin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 107431162
N-[[1-(4-bromophenyl)-3,5-diethylpyrazol-4-yl]methyl]cyclopropanamine
CID 107431113
N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 61272914
N-[[3,5-diethyl-1-(2-methylpropyl)pyrazol-4-yl]methyl]cyclopropanamine
CID 82696836
N-[(1-butan-2-yl-3,5-diethylpyrazol-4-yl)methyl]cyclopropanamine
CID 82697468
N-[[3-ethyl-1-(3-methylphenyl)-5-(4-methylpiperazin-1-yl)pyrazol-4-yl]methyl]cyclopropanamine
CID 42689956
1-(3,5-diethyl-1-pyridin-4-ylpyrazol-4-yl)-N-methylmethanamine
CID 107431079
(2S,3S)-N-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-2-(1-methylimidazol-2-yl)oxolan-3-amine
CID 128970652
N-[(3-ethyl-1-methylpyrazol-4-yl)methyl]cycloheptanamine
CID 112549120
N-[[5-(3,5-diethyl-1-methylpyrazol-4-yl)furan-2-yl]methyl]cyclopropanamine
CID 106889049
ethane;N-(pyridin-2-ylmethyl)cyclopropanamine
CID 144801835
N-ethyl-4-(4-pyrimidin-2-ylpiperazin-1-yl)cyclohexan-1-amine
CID 114762762

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The IUPAC name of N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine (CID 107431061) is N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The canonical SMILES for N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine is CCc1nn(-c2ncccn2)c(CC)c1CNC1CC1.
What is the InChIKey of N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
The InChIKey is FFDMXPMEPZTGDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-3-13-12(10-18-11-6-7-11)14(4-2)20(19-13)15-16-8-5-9-17-15/h5,8-9,11,18H,3-4,6-7,10H2,1-2H3.
What are the key properties of N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine?
N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine has a molecular weight of 271.37 g/mol, XLogP of 2.04, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-diethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine is sourced from PubChem (CID 107431061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).