N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine

C30H41N5 — CID 42690550

IUPACN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine
SMILESCCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(CCCc1ccccc1)C1CC1
InChIInChI=1S/C30H41N5/c1-3-29-28(24-34(26-17-18-26)19-11-14-25-12-7-5-8-13-25)30(33-22-20-32(4-2)21-23-33)35(31-29)27-15-9-6-10-16-27/h5-10,12-13,15-16,26H,3-4,11,14,17-24H2,1-2H3
InChIKeyMVTDEFWOMVALBJ-UHFFFAOYSA-N
MW471.69 g/mol
LogP5.17
Rot. Bonds11

About N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine

N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine (PubChem CID 42690550) has the molecular formula C30H41N5 and a molecular weight of 471.69 g/mol. Its IUPAC name is N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine.

Molecular Properties

Compound NameN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine
PubChem CID42690550
Molecular FormulaC30H41N5
Molecular Weight471.69 g/mol
Exact Mass471.34
IUPAC NameN-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine
SMILESCCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(CCCc1ccccc1)C1CC1
InChIInChI=1S/C30H41N5/c1-3-29-28(24-34(26-17-18-26)19-11-14-25-12-7-5-8-13-25)30(33-22-20-32(4-2)21-23-33)35(31-29)27-15-9-6-10-16-27/h5-10,12-13,15-16,26H,3-4,11,14,17-24H2,1-2H3
InChIKeyMVTDEFWOMVALBJ-UHFFFAOYSA-N
XLogP5.17
TPSA27.54 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.69
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine?
The IUPAC name of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine (CID 42690550) is N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine.
What is the SMILES notation for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine?
The canonical SMILES for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine is CCc1nn(-c2ccccc2)c(N2CCN(CC)CC2)c1CN(CCCc1ccccc1)C1CC1.
What is the InChIKey of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine?
The InChIKey is MVTDEFWOMVALBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N5/c1-3-29-28(24-34(26-17-18-26)19-11-14-25-12-7-5-8-13-25)30(33-22-20-32(4-2)21-23-33)35(31-29)27-15-9-6-10-16-27/h5-10,12-13,15-16,26H,3-4,11,14,17-24H2,1-2H3.
What are the key properties of N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine?
N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine has a molecular weight of 471.69 g/mol, XLogP of 5.17, 11 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-ethyl-5-(4-ethylpiperazin-1-yl)-1-phenylpyrazol-4-yl]methyl]-N-(3-phenylpropyl)cyclopropanamine is sourced from PubChem (CID 42690550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).