3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide

C17H28N4O2 — CID 118779213

IUPAC3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
SMILESCc1[nH]nc(CCC(=O)NCC2(CN3CCOCC3)CC2)c1C
InChIInChI=1S/C17H28N4O2/c1-13-14(2)19-20-15(13)3-4-16(22)18-11-17(5-6-17)12-21-7-9-23-10-8-21/h3-12H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyJSAKJRLBABLOSE-UHFFFAOYSA-N
MW320.44 g/mol
LogP1.19
Rot. Bonds7

About 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide

3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide (PubChem CID 118779213) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide.

Molecular Properties

Compound Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
PubChem CID118779213
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide
SMILESCc1[nH]nc(CCC(=O)NCC2(CN3CCOCC3)CC2)c1C
InChIInChI=1S/C17H28N4O2/c1-13-14(2)19-20-15(13)3-4-16(22)18-11-17(5-6-17)12-21-7-9-23-10-8-21/h3-12H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyJSAKJRLBABLOSE-UHFFFAOYSA-N
XLogP1.19
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide?
The IUPAC name of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide (CID 118779213) is 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide.
What is the SMILES notation for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide?
The canonical SMILES for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide is Cc1[nH]nc(CCC(=O)NCC2(CN3CCOCC3)CC2)c1C.
What is the InChIKey of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide?
The InChIKey is JSAKJRLBABLOSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-13-14(2)19-20-15(13)3-4-16(22)18-11-17(5-6-17)12-21-7-9-23-10-8-21/h3-12H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide?
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide has a molecular weight of 320.44 g/mol, XLogP of 1.19, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-[[1-(morpholin-4-ylmethyl)cyclopropyl]methyl]propanamide is sourced from PubChem (CID 118779213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).