3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide

C14H26N4O — CID 122171333

IUPAC3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(N)cc1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C14H26N4O/c1-6-18-12(7-13(15)16-18)14(19)17(8-10(2)3)9-11(4)5/h7,10-11H,6,8-9H2,1-5H3,(H2,15,16)
InChIKeyCKWZCCKFMOYJEZ-UHFFFAOYSA-N
MW266.39 g/mol
LogP2.24
Rot. Bonds6

About 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide

3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide (PubChem CID 122171333) has the molecular formula C14H26N4O and a molecular weight of 266.39 g/mol. Its IUPAC name is 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide
PubChem CID122171333
Molecular FormulaC14H26N4O
Molecular Weight266.39 g/mol
Exact Mass266.21
IUPAC Name3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide
SMILESCCn1nc(N)cc1C(=O)N(CC(C)C)CC(C)C
InChIInChI=1S/C14H26N4O/c1-6-18-12(7-13(15)16-18)14(19)17(8-10(2)3)9-11(4)5/h7,10-11H,6,8-9H2,1-5H3,(H2,15,16)
InChIKeyCKWZCCKFMOYJEZ-UHFFFAOYSA-N
XLogP2.24
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.39
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide?
The IUPAC name of 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide (CID 122171333) is 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide is CCn1nc(N)cc1C(=O)N(CC(C)C)CC(C)C.
What is the InChIKey of 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide?
The InChIKey is CKWZCCKFMOYJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N4O/c1-6-18-12(7-13(15)16-18)14(19)17(8-10(2)3)9-11(4)5/h7,10-11H,6,8-9H2,1-5H3,(H2,15,16).
What are the key properties of 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide?
3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide has a molecular weight of 266.39 g/mol, XLogP of 2.24, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide is sourced from PubChem (CID 122171333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).