4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide

C11H17N5O — CID 65359780

IUPAC4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1c(N)cnn1C
InChIInChI=1S/C11H17N5O/c1-4-16(7-8(2)5-12)11(17)10-9(13)6-14-15(10)3/h6,8H,4,7,13H2,1-3H3
InChIKeyKHKWVWGKZHAAID-UHFFFAOYSA-N
MW235.29 g/mol
LogP0.62
Rot. Bonds4

About 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide

4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 65359780) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID65359780
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC Name4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCN(CC(C)C#N)C(=O)c1c(N)cnn1C
InChIInChI=1S/C11H17N5O/c1-4-16(7-8(2)5-12)11(17)10-9(13)6-14-15(10)3/h6,8H,4,7,13H2,1-3H3
InChIKeyKHKWVWGKZHAAID-UHFFFAOYSA-N
XLogP0.62
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N,N-bis(cyanomethyl)-1-methylpyrazole-5-carboxamide
CID 65356203
4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-3-carboxamide
CID 65354168
ethyl 2-[(4-amino-1-methylpyrazole-5-carbonyl)-ethylamino]acetate
CID 65359410
4-amino-N-[3-(diethylamino)propyl]-N-ethyl-1-methylpyrazole-5-carboxamide
CID 102990922
4-amino-N-butan-2-yl-N,1-dimethylpyrazole-5-carboxamide
CID 65355914
4-amino-N-ethyl-1-methyl-N-[(2-methylphenyl)methyl]pyrazole-5-carboxamide
CID 65355774
4-amino-N-butyl-N-(2-hydroxyethyl)-1-methylpyrazole-5-carboxamide
CID 65359533
4-amino-N-(2-cyanopropyl)-N-ethyl-3-methylbenzamide
CID 54906117
2-amino-5-bromo-N-(2-cyanopropyl)-N-ethylpyridine-4-carboxamide
CID 114193919
4-amino-N-ethyl-N-[(4-methoxyphenyl)methyl]-1-methylpyrazole-5-carboxamide
CID 65359823
3-amino-4-chloro-N-(2-cyanopropyl)-N-ethylbenzamide
CID 54906116
2-amino-N-(2-cyanopropyl)-N-ethylpyridine-3-carboxamide
CID 62186486

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide (CID 65359780) is 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide is CCN(CC(C)C#N)C(=O)c1c(N)cnn1C.
What is the InChIKey of 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is KHKWVWGKZHAAID-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-4-16(7-8(2)5-12)11(17)10-9(13)6-14-15(10)3/h6,8H,4,7,13H2,1-3H3.
What are the key properties of 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide?
4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 235.29 g/mol, XLogP of 0.62, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2-cyanopropyl)-N-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 65359780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).