N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

C18H28N6O2 — CID 18172922

IUPACN-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCCCCCNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C18H28N6O2/c1-11-15(12(2)22-21-11)17(25)19-9-7-5-6-8-10-20-18(26)16-13(3)23-24-14(16)4/h5-10H2,1-4H3,(H,19,25)(H,20,26)(H,21,22)(H,23,24)
InChIKeyVNZMPZYOCQCEOB-UHFFFAOYSA-N
MW360.46 g/mol
LogP2.09
Rot. Bonds9

About N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide

N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (PubChem CID 18172922) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
PubChem CID18172922
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC NameN-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide
SMILESCc1n[nH]c(C)c1C(=O)NCCCCCCNC(=O)c1c(C)n[nH]c1C
InChIInChI=1S/C18H28N6O2/c1-11-15(12(2)22-21-11)17(25)19-9-7-5-6-8-10-20-18(26)16-13(3)23-24-14(16)4/h5-10H2,1-4H3,(H,19,25)(H,20,26)(H,21,22)(H,23,24)
InChIKeyVNZMPZYOCQCEOB-UHFFFAOYSA-N
XLogP2.09
TPSA115.56 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 52.09
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide (CID 18172922) is N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is Cc1n[nH]c(C)c1C(=O)NCCCCCCNC(=O)c1c(C)n[nH]c1C.
What is the InChIKey of N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
The InChIKey is VNZMPZYOCQCEOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-11-15(12(2)22-21-11)17(25)19-9-7-5-6-8-10-20-18(26)16-13(3)23-24-14(16)4/h5-10H2,1-4H3,(H,19,25)(H,20,26)(H,21,22)(H,23,24).
What are the key properties of N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide?
N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 2.09, 9 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-[(3,5-dimethyl-1H-pyrazole-4-carbonyl)amino]hexyl]-3,5-dimethyl-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 18172922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).