N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine

C17H23N3O — CID 66440578

IUPACN-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C17H23N3O/c1-3-4-17-13(11-18-14-5-6-14)12-19-20(17)15-7-9-16(21-2)10-8-15/h7-10,12,14,18H,3-6,11H2,1-2H3
InChIKeyQCYGZWGNBVFELM-UHFFFAOYSA-N
MW285.39 g/mol
LogP3.09
Rot. Bonds7

About N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine

N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine (PubChem CID 66440578) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
PubChem CID66440578
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC NameN-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine
SMILESCCCc1c(CNC2CC2)cnn1-c1ccc(OC)cc1
InChIInChI=1S/C17H23N3O/c1-3-4-17-13(11-18-14-5-6-14)12-19-20(17)15-7-9-16(21-2)10-8-15/h7-10,12,14,18H,3-6,11H2,1-2H3
InChIKeyQCYGZWGNBVFELM-UHFFFAOYSA-N
XLogP3.09
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine (CID 66440578) is N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine is CCCc1c(CNC2CC2)cnn1-c1ccc(OC)cc1.
What is the InChIKey of N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
The InChIKey is QCYGZWGNBVFELM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-3-4-17-13(11-18-14-5-6-14)12-19-20(17)15-7-9-16(21-2)10-8-15/h7-10,12,14,18H,3-6,11H2,1-2H3.
What are the key properties of N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine?
N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine has a molecular weight of 285.39 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(4-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66440578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).