5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide

C14H21N7O2 — CID 139073558

IUPAC5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNCCNC(=O)c2cc(C)[nH]n2)n[nH]1
InChIInChI=1S/C14H21N7O2/c1-9-7-11(20-18-9)13(22)16-5-3-15-4-6-17-14(23)12-8-10(2)19-21-12/h7-8,15H,3-6H2,1-2H3,(H,16,22)(H,17,23)(H,18,20)(H,19,21)
InChIKeyVYTQNOLPFQRBKF-UHFFFAOYSA-N
MW319.37 g/mol
LogP-0.50
Rot. Bonds8

About 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide

5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide (PubChem CID 139073558) has the molecular formula C14H21N7O2 and a molecular weight of 319.37 g/mol. Its IUPAC name is 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide
PubChem CID139073558
Molecular FormulaC14H21N7O2
Molecular Weight319.37 g/mol
Exact Mass319.18
IUPAC Name5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide
SMILESCc1cc(C(=O)NCCNCCNC(=O)c2cc(C)[nH]n2)n[nH]1
InChIInChI=1S/C14H21N7O2/c1-9-7-11(20-18-9)13(22)16-5-3-15-4-6-17-14(23)12-8-10(2)19-21-12/h7-8,15H,3-6H2,1-2H3,(H,16,22)(H,17,23)(H,18,20)(H,19,21)
InChIKeyVYTQNOLPFQRBKF-UHFFFAOYSA-N
XLogP-0.50
TPSA127.59 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.37
LogP ≤ 5-0.50
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide (CID 139073558) is 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide is Cc1cc(C(=O)NCCNCCNC(=O)c2cc(C)[nH]n2)n[nH]1.
What is the InChIKey of 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide?
The InChIKey is VYTQNOLPFQRBKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N7O2/c1-9-7-11(20-18-9)13(22)16-5-3-15-4-6-17-14(23)12-8-10(2)19-21-12/h7-8,15H,3-6H2,1-2H3,(H,16,22)(H,17,23)(H,18,20)(H,19,21).
What are the key properties of 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide?
5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide has a molecular weight of 319.37 g/mol, XLogP of -0.50, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-[2-[(5-methyl-1H-pyrazole-3-carbonyl)amino]ethylamino]ethyl]-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 139073558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).