N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

C17H25N7O2 — CID 134127942

IUPACN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCOCCCn1cnnc1C(C)NC(=O)C1CC(c2ccccn2)NN1
InChIInChI=1S/C17H25N7O2/c1-12(16-23-19-11-24(16)8-5-9-26-2)20-17(25)15-10-14(21-22-15)13-6-3-4-7-18-13/h3-4,6-7,11-12,14-15,21-22H,5,8-10H2,1-2H3,(H,20,25)
InChIKeyDEYHMFUBKBUFNQ-UHFFFAOYSA-N
MW359.43 g/mol
LogP0.49
Rot. Bonds8

About N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 134127942) has the molecular formula C17H25N7O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID134127942
Molecular FormulaC17H25N7O2
Molecular Weight359.43 g/mol
Exact Mass359.21
IUPAC NameN-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESCOCCCn1cnnc1C(C)NC(=O)C1CC(c2ccccn2)NN1
InChIInChI=1S/C17H25N7O2/c1-12(16-23-19-11-24(16)8-5-9-26-2)20-17(25)15-10-14(21-22-15)13-6-3-4-7-18-13/h3-4,6-7,11-12,14-15,21-22H,5,8-10H2,1-2H3,(H,20,25)
InChIKeyDEYHMFUBKBUFNQ-UHFFFAOYSA-N
XLogP0.49
TPSA105.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 50.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 134127942) is N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is COCCCn1cnnc1C(C)NC(=O)C1CC(c2ccccn2)NN1.
What is the InChIKey of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is DEYHMFUBKBUFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N7O2/c1-12(16-23-19-11-24(16)8-5-9-26-2)20-17(25)15-10-14(21-22-15)13-6-3-4-7-18-13/h3-4,6-7,11-12,14-15,21-22H,5,8-10H2,1-2H3,(H,20,25).
What are the key properties of N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 359.43 g/mol, XLogP of 0.49, 8 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]ethyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134127942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).