N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide

C15H25N7 — CID 123165666

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(N(C)C)C1
InChIInChI=1S/C15H25N7/c1-21(2)11-5-6-22(9-11)14(17)8-13(16)18-15-7-12(19-20-15)10-3-4-10/h7,10-11,17H,3-6,8-9H2,1-2H3,(H3,16,18,19,20)/b17-14-
InChIKeyJCJRNXPXYJXLED-VKAVYKQESA-N
MW303.41 g/mol
LogP1.28
Rot. Bonds5

About N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide (PubChem CID 123165666) has the molecular formula C15H25N7 and a molecular weight of 303.41 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
PubChem CID123165666
Molecular FormulaC15H25N7
Molecular Weight303.41 g/mol
Exact Mass303.22
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(N(C)C)C1
InChIInChI=1S/C15H25N7/c1-21(2)11-5-6-22(9-11)14(17)8-13(16)18-15-7-12(19-20-15)10-3-4-10/h7,10-11,17H,3-6,8-9H2,1-2H3,(H3,16,18,19,20)/b17-14-
InChIKeyJCJRNXPXYJXLED-VKAVYKQESA-N
XLogP1.28
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 51.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide (CID 123165666) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide is [H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(N(C)C)C1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide?
The InChIKey is JCJRNXPXYJXLED-VKAVYKQESA-N. The full InChI is InChI=1S/C15H25N7/c1-21(2)11-5-6-22(9-11)14(17)8-13(16)18-15-7-12(19-20-15)10-3-4-10/h7,10-11,17H,3-6,8-9H2,1-2H3,(H3,16,18,19,20)/b17-14-.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide has a molecular weight of 303.41 g/mol, XLogP of 1.28, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(dimethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide is sourced from PubChem (CID 123165666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).