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

C17H22N6O2 — CID 143600816

IUPACN-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide
SMILESCNc1cc(CN2CCOCC2)ccc1/N=C/c1[nH]ncc1NC=O
InChIInChI=1S/C17H22N6O2/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/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,20,24)(H,21,22)/b19-9+
InChIKeySRVAAYIRZKLNLH-DJKKODMXSA-N
MW342.40 g/mol
LogP1.60
Rot. Bonds7

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

N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide (PubChem CID 143600816) has the molecular formula C17H22N6O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide.

Molecular Properties

Compound NameN-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide
PubChem CID143600816
Molecular FormulaC17H22N6O2
Molecular Weight342.40 g/mol
Exact Mass342.18
IUPAC NameN-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide
SMILESCNc1cc(CN2CCOCC2)ccc1/N=C/c1[nH]ncc1NC=O
InChIInChI=1S/C17H22N6O2/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/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,20,24)(H,21,22)/b19-9+
InChIKeySRVAAYIRZKLNLH-DJKKODMXSA-N
XLogP1.60
TPSA94.64 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide?
The IUPAC name of N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide (CID 143600816) is N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide.
What is the SMILES notation for N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide?
The canonical SMILES for N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide is 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?
The InChIKey is SRVAAYIRZKLNLH-DJKKODMXSA-N. The full InChI is InChI=1S/C17H22N6O2/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/h2-3,8-10,12,18H,4-7,11H2,1H3,(H,20,24)(H,21,22)/b19-9+.
What are the key properties of N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide?
N-[5-[[2-(methylamino)-4-(morpholin-4-ylmethyl)phenyl]iminomethyl]-1H-pyrazol-4-yl]formamide has a molecular weight of 342.40 g/mol, XLogP of 1.60, 7 rotatable bonds, 3 hydrogen bond donors, and 6 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 is sourced from PubChem (CID 143600816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).