4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide

C11H20N4O — CID 43696294

IUPAC4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
SMILESCc1c(C(C)NC(=O)CCCN)cnn1C
InChIInChI=1S/C11H20N4O/c1-8(14-11(16)5-4-6-12)10-7-13-15(3)9(10)2/h7-8H,4-6,12H2,1-3H3,(H,14,16)
InChIKeyWDLSGMKYGHZQAV-UHFFFAOYSA-N
MW224.31 g/mol
LogP0.64
Rot. Bonds5

About 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide

4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide (PubChem CID 43696294) has the molecular formula C11H20N4O and a molecular weight of 224.31 g/mol. Its IUPAC name is 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide.

Molecular Properties

Compound Name4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
PubChem CID43696294
Molecular FormulaC11H20N4O
Molecular Weight224.31 g/mol
Exact Mass224.16
IUPAC Name4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
SMILESCc1c(C(C)NC(=O)CCCN)cnn1C
InChIInChI=1S/C11H20N4O/c1-8(14-11(16)5-4-6-12)10-7-13-15(3)9(10)2/h7-8H,4-6,12H2,1-3H3,(H,14,16)
InChIKeyWDLSGMKYGHZQAV-UHFFFAOYSA-N
XLogP0.64
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 1247509
5-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylpentanamide
CID 104683752
N-[(1R)-1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(4-methylpiperazin-1-yl)propanamide
CID 124755441
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylbutanamide;hydrochloride
CID 119293160
3-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-2-methylbutanamide
CID 113416098
2-(4-chloro-5-methylpyrazol-1-yl)-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]acetamide
CID 19469013
4-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]butanamide
CID 106047441
2-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-methylpentanamide
CID 43696292
3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]propanoic acid
CID 155858515
2-bromo-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide
CID 62855381
N-[3-[1-(1,5-dimethylpyrazol-4-yl)ethylamino]-3-oxopropyl]adamantane-1-carboxamide
CID 51114201
N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3-(1H-indol-3-yl)propanamide
CID 19468867

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The IUPAC name of 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide (CID 43696294) is 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide.
What is the SMILES notation for 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The canonical SMILES for 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide is Cc1c(C(C)NC(=O)CCCN)cnn1C.
What is the InChIKey of 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
The InChIKey is WDLSGMKYGHZQAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O/c1-8(14-11(16)5-4-6-12)10-7-13-15(3)9(10)2/h7-8H,4-6,12H2,1-3H3,(H,14,16).
What are the key properties of 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide?
4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide has a molecular weight of 224.31 g/mol, XLogP of 0.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]butanamide is sourced from PubChem (CID 43696294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).