N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

C15H22N4 — CID 66401824

IUPACN-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCCn1nc(C)cc1Cn1cccc1CNC1CC1
InChIInChI=1S/C15H22N4/c1-3-19-15(9-12(2)17-19)11-18-8-4-5-14(18)10-16-13-6-7-13/h4-5,8-9,13,16H,3,6-7,10-11H2,1-2H3
InChIKeyRLKNKCSPORHSQK-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.31
Rot. Bonds6

About N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine

N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (PubChem CID 66401824) has the molecular formula C15H22N4 and a molecular weight of 258.37 g/mol. Its IUPAC name is N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.

Molecular Properties

Compound NameN-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
PubChem CID66401824
Molecular FormulaC15H22N4
Molecular Weight258.37 g/mol
Exact Mass258.18
IUPAC NameN-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine
SMILESCCn1nc(C)cc1Cn1cccc1CNC1CC1
InChIInChI=1S/C15H22N4/c1-3-19-15(9-12(2)17-19)11-18-8-4-5-14(18)10-16-13-6-7-13/h4-5,8-9,13,16H,3,6-7,10-11H2,1-2H3
InChIKeyRLKNKCSPORHSQK-UHFFFAOYSA-N
XLogP2.31
TPSA34.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The IUPAC name of N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine (CID 66401824) is N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine.
What is the SMILES notation for N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The canonical SMILES for N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is CCn1nc(C)cc1Cn1cccc1CNC1CC1.
What is the InChIKey of N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
The InChIKey is RLKNKCSPORHSQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4/c1-3-19-15(9-12(2)17-19)11-18-8-4-5-14(18)10-16-13-6-7-13/h4-5,8-9,13,16H,3,6-7,10-11H2,1-2H3.
What are the key properties of N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine?
N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine has a molecular weight of 258.37 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-ethyl-5-methylpyrazol-3-yl)methyl]pyrrol-2-yl]methyl]cyclopropanamine is sourced from PubChem (CID 66401824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).