N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide

C11H17ClN4O2 — CID 56872976

IUPACN-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(Cl)cnn1CC)C(C)C(N)=O
InChIInChI=1S/C11H17ClN4O2/c1-4-15(7(3)10(13)17)11(18)9-8(12)6-14-16(9)5-2/h6-7H,4-5H2,1-3H3,(H2,13,17)
InChIKeyMKGZKUUBNNIJNI-UHFFFAOYSA-N
MW272.74 g/mol
LogP0.89
Rot. Bonds5

About N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide

N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide (PubChem CID 56872976) has the molecular formula C11H17ClN4O2 and a molecular weight of 272.74 g/mol. Its IUPAC name is N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide
PubChem CID56872976
Molecular FormulaC11H17ClN4O2
Molecular Weight272.74 g/mol
Exact Mass272.10
IUPAC NameN-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide
SMILESCCN(C(=O)c1c(Cl)cnn1CC)C(C)C(N)=O
InChIInChI=1S/C11H17ClN4O2/c1-4-15(7(3)10(13)17)11(18)9-8(12)6-14-16(9)5-2/h6-7H,4-5H2,1-3H3,(H2,13,17)
InChIKeyMKGZKUUBNNIJNI-UHFFFAOYSA-N
XLogP0.89
TPSA81.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.74
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide?
The IUPAC name of N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide (CID 56872976) is N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide.
What is the SMILES notation for N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide?
The canonical SMILES for N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide is CCN(C(=O)c1c(Cl)cnn1CC)C(C)C(N)=O.
What is the InChIKey of N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide?
The InChIKey is MKGZKUUBNNIJNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O2/c1-4-15(7(3)10(13)17)11(18)9-8(12)6-14-16(9)5-2/h6-7H,4-5H2,1-3H3,(H2,13,17).
What are the key properties of N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide?
N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide has a molecular weight of 272.74 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-amino-1-oxopropan-2-yl)-4-chloro-N,1-diethylpyrazole-5-carboxamide is sourced from PubChem (CID 56872976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).