N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide

C19H26N6 — CID 91394707

IUPACN',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide
SMILESC/N=C(\N=C(C)Cc1cc(-c2ccccc2)n[nH]1)N1CCN(C)CC1
InChIInChI=1S/C19H26N6/c1-15(21-19(20-2)25-11-9-24(3)10-12-25)13-17-14-18(23-22-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,22,23)/b20-19+,21-15?
InChIKeyKIPFKWIZQHMIAP-SAIJEGHJSA-N
MW338.46 g/mol
LogP2.31
Rot. Bonds3

About N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide

N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide (PubChem CID 91394707) has the molecular formula C19H26N6 and a molecular weight of 338.46 g/mol. Its IUPAC name is N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide.

Molecular Properties

Compound NameN',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide
PubChem CID91394707
Molecular FormulaC19H26N6
Molecular Weight338.46 g/mol
Exact Mass338.22
IUPAC NameN',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide
SMILESC/N=C(\N=C(C)Cc1cc(-c2ccccc2)n[nH]1)N1CCN(C)CC1
InChIInChI=1S/C19H26N6/c1-15(21-19(20-2)25-11-9-24(3)10-12-25)13-17-14-18(23-22-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,22,23)/b20-19+,21-15?
InChIKeyKIPFKWIZQHMIAP-SAIJEGHJSA-N
XLogP2.31
TPSA59.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide?
The IUPAC name of N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide (CID 91394707) is N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide.
What is the SMILES notation for N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide?
The canonical SMILES for N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide is C/N=C(\N=C(C)Cc1cc(-c2ccccc2)n[nH]1)N1CCN(C)CC1.
What is the InChIKey of N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide?
The InChIKey is KIPFKWIZQHMIAP-SAIJEGHJSA-N. The full InChI is InChI=1S/C19H26N6/c1-15(21-19(20-2)25-11-9-24(3)10-12-25)13-17-14-18(23-22-17)16-7-5-4-6-8-16/h4-8,14H,9-13H2,1-3H3,(H,22,23)/b20-19+,21-15?.
What are the key properties of N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide?
N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide has a molecular weight of 338.46 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N',4-dimethyl-N-[1-(3-phenyl-1H-pyrazol-5-yl)propan-2-ylidene]piperazine-1-carboximidamide is sourced from PubChem (CID 91394707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).