N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide

C21H28ClN5O3 — CID 24815559

IUPACN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)CNC2CC2)ccc1OCCN1CCOCC1
InChIInChI=1S/C21H28ClN5O3/c1-26-21(18(22)13-24-26)17-12-16(25-20(28)14-23-15-2-3-15)4-5-19(17)30-11-8-27-6-9-29-10-7-27/h4-5,12-13,15,23H,2-3,6-11,14H2,1H3,(H,25,28)
InChIKeyBPTCZXVFPMICMG-UHFFFAOYSA-N
MW433.94 g/mol
LogP2.14
Rot. Bonds9

About N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide

N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide (PubChem CID 24815559) has the molecular formula C21H28ClN5O3 and a molecular weight of 433.94 g/mol. Its IUPAC name is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide.

Molecular Properties

Compound NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide
PubChem CID24815559
Molecular FormulaC21H28ClN5O3
Molecular Weight433.94 g/mol
Exact Mass433.19
IUPAC NameN-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)CNC2CC2)ccc1OCCN1CCOCC1
InChIInChI=1S/C21H28ClN5O3/c1-26-21(18(22)13-24-26)17-12-16(25-20(28)14-23-15-2-3-15)4-5-19(17)30-11-8-27-6-9-29-10-7-27/h4-5,12-13,15,23H,2-3,6-11,14H2,1H3,(H,25,28)
InChIKeyBPTCZXVFPMICMG-UHFFFAOYSA-N
XLogP2.14
TPSA80.65 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.94
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide?
The IUPAC name of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide (CID 24815559) is N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide.
What is the SMILES notation for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide?
The canonical SMILES for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide is Cn1ncc(Cl)c1-c1cc(NC(=O)CNC2CC2)ccc1OCCN1CCOCC1.
What is the InChIKey of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide?
The InChIKey is BPTCZXVFPMICMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28ClN5O3/c1-26-21(18(22)13-24-26)17-12-16(25-20(28)14-23-15-2-3-15)4-5-19(17)30-11-8-27-6-9-29-10-7-27/h4-5,12-13,15,23H,2-3,6-11,14H2,1H3,(H,25,28).
What are the key properties of N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide?
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide has a molecular weight of 433.94 g/mol, XLogP of 2.14, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-(2-morpholin-4-ylethoxy)phenyl]-2-(cyclopropylamino)acetamide is sourced from PubChem (CID 24815559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).