N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine

C14H18N4 — CID 55059747

IUPACN-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(-n2cccn2)n1
InChIInChI=1S/C14H18N4/c1-10-8-11(2)17-14(18-7-3-6-16-18)13(10)9-15-12-4-5-12/h3,6-8,12,15H,4-5,9H2,1-2H3
InChIKeyBZTDUSBPMOMCPG-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.14
Rot. Bonds4

About N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine

N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine (PubChem CID 55059747) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
PubChem CID55059747
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC NameN-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine
SMILESCc1cc(C)c(CNC2CC2)c(-n2cccn2)n1
InChIInChI=1S/C14H18N4/c1-10-8-11(2)17-14(18-7-3-6-16-18)13(10)9-15-12-4-5-12/h3,6-8,12,15H,4-5,9H2,1-2H3
InChIKeyBZTDUSBPMOMCPG-UHFFFAOYSA-N
XLogP2.14
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine?
The IUPAC name of N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine (CID 55059747) is N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine.
What is the SMILES notation for N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine?
The canonical SMILES for N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine is Cc1cc(C)c(CNC2CC2)c(-n2cccn2)n1.
What is the InChIKey of N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine?
The InChIKey is BZTDUSBPMOMCPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-10-8-11(2)17-14(18-7-3-6-16-18)13(10)9-15-12-4-5-12/h3,6-8,12,15H,4-5,9H2,1-2H3.
What are the key properties of N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine?
N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine has a molecular weight of 242.33 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-pyrazol-1-yl-3-pyridinyl)methyl]cyclopropanamine is sourced from PubChem (CID 55059747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).