N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide

C10H18N4O — CID 43663767

IUPACN-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1cn[nH]c1C
InChIInChI=1S/C10H18N4O/c1-4-11-10(15)8(3)12-5-9-6-13-14-7(9)2/h6,8,12H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyFLIRYJIGBAZXDK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.33
Rot. Bonds5

About N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide

N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide (PubChem CID 43663767) has the molecular formula C10H18N4O and a molecular weight of 210.28 g/mol. Its IUPAC name is N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide.

Molecular Properties

Compound NameN-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
PubChem CID43663767
Molecular FormulaC10H18N4O
Molecular Weight210.28 g/mol
Exact Mass210.15
IUPAC NameN-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide
SMILESCCNC(=O)C(C)NCc1cn[nH]c1C
InChIInChI=1S/C10H18N4O/c1-4-11-10(15)8(3)12-5-9-6-13-14-7(9)2/h6,8,12H,4-5H2,1-3H3,(H,11,15)(H,13,14)
InChIKeyFLIRYJIGBAZXDK-UHFFFAOYSA-N
XLogP0.33
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.33
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The IUPAC name of N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide (CID 43663767) is N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide.
What is the SMILES notation for N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The canonical SMILES for N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide is CCNC(=O)C(C)NCc1cn[nH]c1C.
What is the InChIKey of N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
The InChIKey is FLIRYJIGBAZXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O/c1-4-11-10(15)8(3)12-5-9-6-13-14-7(9)2/h6,8,12H,4-5H2,1-3H3,(H,11,15)(H,13,14).
What are the key properties of N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide?
N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide has a molecular weight of 210.28 g/mol, XLogP of 0.33, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[(5-methyl-1H-pyrazol-4-yl)methylamino]propanamide is sourced from PubChem (CID 43663767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).