N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide

C13H25N5O — CID 62638227

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
SMILESCCN(CC)CCn1cc(NC(=O)C(C)NC)cn1
InChIInChI=1S/C13H25N5O/c1-5-17(6-2)7-8-18-10-12(9-15-18)16-13(19)11(3)14-4/h9-11,14H,5-8H2,1-4H3,(H,16,19)
InChIKeyGNWBGQUXPQCVIY-UHFFFAOYSA-N
MW267.38 g/mol
LogP0.77
Rot. Bonds8

About N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide (PubChem CID 62638227) has the molecular formula C13H25N5O and a molecular weight of 267.38 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
PubChem CID62638227
Molecular FormulaC13H25N5O
Molecular Weight267.38 g/mol
Exact Mass267.21
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
SMILESCCN(CC)CCn1cc(NC(=O)C(C)NC)cn1
InChIInChI=1S/C13H25N5O/c1-5-17(6-2)7-8-18-10-12(9-15-18)16-13(19)11(3)14-4/h9-11,14H,5-8H2,1-4H3,(H,16,19)
InChIKeyGNWBGQUXPQCVIY-UHFFFAOYSA-N
XLogP0.77
TPSA62.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
CID 47927357
methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
CID 66172738
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
CID 81071014
1-[2-(diethylamino)ethyl]-N-(3-methylbutan-2-yl)pyrazol-4-amine
CID 54866652
1-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 60945429
3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide
CID 47926908
(2S)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 61163094
2-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 64823183
4-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-fluorobenzamide
CID 47076856

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide (CID 62638227) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide is CCN(CC)CCn1cc(NC(=O)C(C)NC)cn1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide?
The InChIKey is GNWBGQUXPQCVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25N5O/c1-5-17(6-2)7-8-18-10-12(9-15-18)16-13(19)11(3)14-4/h9-11,14H,5-8H2,1-4H3,(H,16,19).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide has a molecular weight of 267.38 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 62638227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).