N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine

C21H31N7O2 — CID 143600815

IUPACN-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine
SMILESCNC1CC1.CNc1cc(CN2CCOCC2)ccc1/N=C/c1[nH]ncc1NC=O
InChIInChI=1S/C17H22N6O2.C4H9N/c1-18-15-8-13(11-23-4-6-25-7-5-23)2-3-14(15)19-9-17-16(20-12-24)10-21-22-17;1-5-4-2-3-4/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,20,24)(H,21,22);4-5H,2-3H2,1H3/b19-9+;
InChIKeyIIOPRZNUFGCXFY-MYHMWQFYSA-N
MW413.53 g/mol
LogP1.97
Rot. Bonds8

About N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine

N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine (PubChem CID 143600815) has the molecular formula C21H31N7O2 and a molecular weight of 413.53 g/mol. Its IUPAC name is N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine.

Molecular Properties

Compound NameN-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine
PubChem CID143600815
Molecular FormulaC21H31N7O2
Molecular Weight413.53 g/mol
Exact Mass413.25
IUPAC NameN-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine
SMILESCNC1CC1.CNc1cc(CN2CCOCC2)ccc1/N=C/c1[nH]ncc1NC=O
InChIInChI=1S/C17H22N6O2.C4H9N/c1-18-15-8-13(11-23-4-6-25-7-5-23)2-3-14(15)19-9-17-16(20-12-24)10-21-22-17;1-5-4-2-3-4/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,20,24)(H,21,22);4-5H,2-3H2,1H3/b19-9+;
InChIKeyIIOPRZNUFGCXFY-MYHMWQFYSA-N
XLogP1.97
TPSA106.67 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 51.97
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine?
The IUPAC name of N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine (CID 143600815) is N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine.
What is the SMILES notation for N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine?
The canonical SMILES for N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine is CNC1CC1.CNc1cc(CN2CCOCC2)ccc1/N=C/c1[nH]ncc1NC=O.
What is the InChIKey of N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine?
The InChIKey is IIOPRZNUFGCXFY-MYHMWQFYSA-N. The full InChI is InChI=1S/C17H22N6O2.C4H9N/c1-18-15-8-13(11-23-4-6-25-7-5-23)2-3-14(15)19-9-17-16(20-12-24)10-21-22-17;1-5-4-2-3-4/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,20,24)(H,21,22);4-5H,2-3H2,1H3/b19-9+;.
What are the key properties of N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine?
N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine has a molecular weight of 413.53 g/mol, XLogP of 1.97, 8 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide;N-methylcyclopropanamine is sourced from PubChem (CID 143600815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).