4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide

C9H15ClN4O — CID 63040505

IUPAC4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide
SMILESCCNC(CCn1cc(Cl)cn1)C(N)=O
InChIInChI=1S/C9H15ClN4O/c1-2-12-8(9(11)15)3-4-14-6-7(10)5-13-14/h5-6,8,12H,2-4H2,1H3,(H2,11,15)
InChIKeyGGKNSAGRQHQDJQ-UHFFFAOYSA-N
MW230.70 g/mol
LogP0.39
Rot. Bonds6

About 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide

4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide (PubChem CID 63040505) has the molecular formula C9H15ClN4O and a molecular weight of 230.70 g/mol. Its IUPAC name is 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide.

Molecular Properties

Compound Name4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide
PubChem CID63040505
Molecular FormulaC9H15ClN4O
Molecular Weight230.70 g/mol
Exact Mass230.09
IUPAC Name4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide
SMILESCCNC(CCn1cc(Cl)cn1)C(N)=O
InChIInChI=1S/C9H15ClN4O/c1-2-12-8(9(11)15)3-4-14-6-7(10)5-13-14/h5-6,8,12H,2-4H2,1H3,(H2,11,15)
InChIKeyGGKNSAGRQHQDJQ-UHFFFAOYSA-N
XLogP0.39
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.70
LogP ≤ 50.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide?
The IUPAC name of 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide (CID 63040505) is 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide.
What is the SMILES notation for 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide?
The canonical SMILES for 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide is CCNC(CCn1cc(Cl)cn1)C(N)=O.
What is the InChIKey of 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide?
The InChIKey is GGKNSAGRQHQDJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15ClN4O/c1-2-12-8(9(11)15)3-4-14-6-7(10)5-13-14/h5-6,8,12H,2-4H2,1H3,(H2,11,15).
What are the key properties of 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide?
4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide has a molecular weight of 230.70 g/mol, XLogP of 0.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloropyrazol-1-yl)-2-(ethylamino)butanamide is sourced from PubChem (CID 63040505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).