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

C13H24N4O — CID 47927357

IUPACN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
SMILESCCCC(=O)Nc1cnn(CCN(CC)CC)c1
InChIInChI=1S/C13H24N4O/c1-4-7-13(18)15-12-10-14-17(11-12)9-8-16(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyOJPNZJKGGWFEBA-UHFFFAOYSA-N
MW252.36 g/mol
LogP1.96
Rot. Bonds8

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

N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide (PubChem CID 47927357) has the molecular formula C13H24N4O and a molecular weight of 252.36 g/mol. Its IUPAC name is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide.

Molecular Properties

Compound NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
PubChem CID47927357
Molecular FormulaC13H24N4O
Molecular Weight252.36 g/mol
Exact Mass252.20
IUPAC NameN-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide
SMILESCCCC(=O)Nc1cnn(CCN(CC)CC)c1
InChIInChI=1S/C13H24N4O/c1-4-7-13(18)15-12-10-14-17(11-12)9-8-16(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,15,18)
InChIKeyOJPNZJKGGWFEBA-UHFFFAOYSA-N
XLogP1.96
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 54867250
3-(aminomethyl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]pentanamide
CID 81071014
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-(methylamino)propanamide
CID 62638227
2-(1,2-benzoxazol-3-yl)-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]acetamide
CID 51095081
1-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]cyclopentane-1-carboxamide
CID 60945429
5-amino-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methylpentanamide
CID 104684262
3-acetamido-N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-3-(4-methylphenyl)propanamide
CID 47926908
methyl 2-[[1-[2-(diethylamino)ethyl]pyrazol-4-yl]amino]propanoate
CID 66172738
(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
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]-2-methoxy-2-phenylacetamide
CID 60587081
N-[1-[(4-chlorophenyl)methyl]pyrazol-4-yl]butanamide
CID 19407768

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide?
The IUPAC name of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide (CID 47927357) is N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide.
What is the SMILES notation for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide?
The canonical SMILES for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide is CCCC(=O)Nc1cnn(CCN(CC)CC)c1.
What is the InChIKey of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide?
The InChIKey is OJPNZJKGGWFEBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O/c1-4-7-13(18)15-12-10-14-17(11-12)9-8-16(5-2)6-3/h10-11H,4-9H2,1-3H3,(H,15,18).
What are the key properties of N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide?
N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide has a molecular weight of 252.36 g/mol, XLogP of 1.96, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(diethylamino)ethyl]pyrazol-4-yl]butanamide is sourced from PubChem (CID 47927357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).