N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide

C17H31N5O2 — CID 51105444

IUPACN,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCCC(=O)N(C)C
InChIInChI=1S/C17H31N5O2/c1-13(2)16-14(12-18-7-6-15(23)20(3)4)17(21(5)19-16)22-8-10-24-11-9-22/h13,18H,6-12H2,1-5H3
InChIKeyPDOLXZLYEPTCMH-UHFFFAOYSA-N
MW337.47 g/mol
LogP0.95
Rot. Bonds7

About N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide

N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide (PubChem CID 51105444) has the molecular formula C17H31N5O2 and a molecular weight of 337.47 g/mol. Its IUPAC name is N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
PubChem CID51105444
Molecular FormulaC17H31N5O2
Molecular Weight337.47 g/mol
Exact Mass337.25
IUPAC NameN,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide
SMILESCC(C)c1nn(C)c(N2CCOCC2)c1CNCCC(=O)N(C)C
InChIInChI=1S/C17H31N5O2/c1-13(2)16-14(12-18-7-6-15(23)20(3)4)17(21(5)19-16)22-8-10-24-11-9-22/h13,18H,6-12H2,1-5H3
InChIKeyPDOLXZLYEPTCMH-UHFFFAOYSA-N
XLogP0.95
TPSA62.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide (CID 51105444) is N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide is CC(C)c1nn(C)c(N2CCOCC2)c1CNCCC(=O)N(C)C.
What is the InChIKey of N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
The InChIKey is PDOLXZLYEPTCMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N5O2/c1-13(2)16-14(12-18-7-6-15(23)20(3)4)17(21(5)19-16)22-8-10-24-11-9-22/h13,18H,6-12H2,1-5H3.
What are the key properties of N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide?
N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide has a molecular weight of 337.47 g/mol, XLogP of 0.95, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[(1-methyl-5-morpholin-4-yl-3-propan-2-ylpyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 51105444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).