1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide

C13H19N5O — CID 106217679

IUPAC1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2cn[nH]c2)n(CC)n1
InChIInChI=1S/C13H19N5O/c1-4-11-6-12(18(5-2)17-11)13(19)16-9(3)10-7-14-15-8-10/h6-9H,4-5H2,1-3H3,(H,14,15)(H,16,19)
InChIKeyXDNDDEWTVSMCAP-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.68
Rot. Bonds5

About 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide

1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 106217679) has the molecular formula C13H19N5O and a molecular weight of 261.33 g/mol. Its IUPAC name is 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide
PubChem CID106217679
Molecular FormulaC13H19N5O
Molecular Weight261.33 g/mol
Exact Mass261.16
IUPAC Name1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide
SMILESCCc1cc(C(=O)NC(C)c2cn[nH]c2)n(CC)n1
InChIInChI=1S/C13H19N5O/c1-4-11-6-12(18(5-2)17-11)13(19)16-9(3)10-7-14-15-8-10/h6-9H,4-5H2,1-3H3,(H,14,15)(H,16,19)
InChIKeyXDNDDEWTVSMCAP-UHFFFAOYSA-N
XLogP1.68
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-ethyl-6-hydrazinyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridine-4-carboxamide
CID 106218268
1,3-diethyl-N-[1-(2H-tetrazol-5-yl)ethyl]pyrazole-5-carboxamide
CID 66120822
methyl 2-[(1,3-diethylpyrazole-5-carbonyl)amino]propanoate
CID 66120627
N-(4-bromobutan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 83180018
N-(1-amino-4-methylpentan-3-yl)-1,3-diethylpyrazole-5-carboxamide
CID 106356961
3-ethyl-6-methyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyridazine-4-carboxamide
CID 104625743
N-(1-amino-1-sulfanylidenepropan-2-yl)-1,3-diethylpyrazole-5-carboxamide
CID 66121975
2-propan-2-yl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-3-carboxamide
CID 146084407
1,3-diethyl-N-(1-hydroxy-4-methylpentan-3-yl)pyrazole-5-carboxamide
CID 106352951
N-[1-(1H-pyrazol-4-yl)ethyl]butanamide
CID 103856506
1,3-diethyl-N-(3-methyl-2-propan-2-ylbutyl)pyrazole-5-carboxamide
CID 102914495
1,3-diethyl-N-(3-methyl-2-oxobutyl)pyrazole-5-carboxamide
CID 66121592

Frequently Asked Questions

What is the IUPAC name of 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide (CID 106217679) is 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide is CCc1cc(C(=O)NC(C)c2cn[nH]c2)n(CC)n1.
What is the InChIKey of 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is XDNDDEWTVSMCAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5O/c1-4-11-6-12(18(5-2)17-11)13(19)16-9(3)10-7-14-15-8-10/h6-9H,4-5H2,1-3H3,(H,14,15)(H,16,19).
What are the key properties of 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide?
1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 261.33 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diethyl-N-[1-(1H-pyrazol-4-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 106217679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).