N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide

C13H20N6O — CID 129181456

IUPACN-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide
SMILESCc1[nH]nc(NCCCc2[nH]nc(NC=O)c2C)c1C
InChIInChI=1S/C13H20N6O/c1-8-10(3)16-18-12(8)14-6-4-5-11-9(2)13(15-7-20)19-17-11/h7H,4-6H2,1-3H3,(H2,14,16,18)(H2,15,17,19,20)
InChIKeyYWBVDKWWBSYHAW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.67
Rot. Bonds7

About N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide

N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide (PubChem CID 129181456) has the molecular formula C13H20N6O and a molecular weight of 276.34 g/mol. Its IUPAC name is N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide.

Molecular Properties

Compound NameN-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide
PubChem CID129181456
Molecular FormulaC13H20N6O
Molecular Weight276.34 g/mol
Exact Mass276.17
IUPAC NameN-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide
SMILESCc1[nH]nc(NCCCc2[nH]nc(NC=O)c2C)c1C
InChIInChI=1S/C13H20N6O/c1-8-10(3)16-18-12(8)14-6-4-5-11-9(2)13(15-7-20)19-17-11/h7H,4-6H2,1-3H3,(H2,14,16,18)(H2,15,17,19,20)
InChIKeyYWBVDKWWBSYHAW-UHFFFAOYSA-N
XLogP1.67
TPSA98.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.67
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide?
The IUPAC name of N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide (CID 129181456) is N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide.
What is the SMILES notation for N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide?
The canonical SMILES for N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide is Cc1[nH]nc(NCCCc2[nH]nc(NC=O)c2C)c1C.
What is the InChIKey of N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide?
The InChIKey is YWBVDKWWBSYHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N6O/c1-8-10(3)16-18-12(8)14-6-4-5-11-9(2)13(15-7-20)19-17-11/h7H,4-6H2,1-3H3,(H2,14,16,18)(H2,15,17,19,20).
What are the key properties of N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide?
N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide has a molecular weight of 276.34 g/mol, XLogP of 1.67, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-[(4,5-dimethyl-1H-pyrazol-3-yl)amino]propyl]-4-methyl-1H-pyrazol-3-yl]formamide is sourced from PubChem (CID 129181456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).