N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine

C15H21N5 — CID 79822676

IUPACN-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine
SMILESCc1nn(-c2ccncn2)c(C)c1CCCNC1CC1
InChIInChI=1S/C15H21N5/c1-11-14(4-3-8-17-13-5-6-13)12(2)20(19-11)15-7-9-16-10-18-15/h7,9-10,13,17H,3-6,8H2,1-2H3
InChIKeyYYYLOAJDORTGMJ-UHFFFAOYSA-N
MW271.37 g/mol
LogP1.96
Rot. Bonds6

About N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine

N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine (PubChem CID 79822676) has the molecular formula C15H21N5 and a molecular weight of 271.37 g/mol. Its IUPAC name is N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine
PubChem CID79822676
Molecular FormulaC15H21N5
Molecular Weight271.37 g/mol
Exact Mass271.18
IUPAC NameN-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine
SMILESCc1nn(-c2ccncn2)c(C)c1CCCNC1CC1
InChIInChI=1S/C15H21N5/c1-11-14(4-3-8-17-13-5-6-13)12(2)20(19-11)15-7-9-16-10-18-15/h7,9-10,13,17H,3-6,8H2,1-2H3
InChIKeyYYYLOAJDORTGMJ-UHFFFAOYSA-N
XLogP1.96
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 ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)propyl]cyclopropanamine
CID 79225703
N-[3-[1-(1-cyclopropylethyl)-3,5-dimethylpyrazol-4-yl]propyl]cyclopropanamine
CID 79225002
N-[2-[1-(4-fluoro-2-methylphenyl)-3,5-dimethylpyrazol-4-yl]ethyl]cyclopropanamine
CID 79224024
N-(3-pyridin-4-ylpropyl)cyclopropanamine
CID 62549515
N-[(3,5-dimethyl-1-pyrimidin-2-ylpyrazol-4-yl)methyl]cyclopropanamine
CID 61272914
N-[2-[3,5-dimethyl-1-[2-(2-methylpyrazol-3-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 103015727
3-[3-(cyclopropylamino)propyl]-4-methylpyridin-2-amine
CID 64505159
N-[2-(1-tert-butyl-3,5-dimethylpyrazol-4-yl)ethyl]cyclopropanamine
CID 79219679
3-[1-(5-bromo-2-pyridinyl)-3,5-dimethylpyrazol-4-yl]-N-ethylpropan-1-amine
CID 79225163
N-[[6-(4-ethyl-3,5-dimethylpyrazol-1-yl)-2-pyridinyl]methyl]cyclopropanamine
CID 62287746
N-[2-[3,5-dimethyl-1-[2-(1-methylimidazol-2-yl)ethyl]pyrazol-4-yl]ethyl]cyclopropanamine
CID 114532019
N-[3-(1,3,5-trimethylpyrazol-4-yl)propyl]thian-3-amine
CID 86787623

Frequently Asked Questions

What is the IUPAC name of N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine?
The IUPAC name of N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine (CID 79822676) is N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine.
What is the SMILES notation for N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine?
The canonical SMILES for N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine is Cc1nn(-c2ccncn2)c(C)c1CCCNC1CC1.
What is the InChIKey of N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine?
The InChIKey is YYYLOAJDORTGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5/c1-11-14(4-3-8-17-13-5-6-13)12(2)20(19-11)15-7-9-16-10-18-15/h7,9-10,13,17H,3-6,8H2,1-2H3.
What are the key properties of N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine?
N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine has a molecular weight of 271.37 g/mol, XLogP of 1.96, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3,5-dimethyl-1-pyrimidin-4-ylpyrazol-4-yl)propyl]cyclopropanamine is sourced from PubChem (CID 79822676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).