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

C17H29N7 — CID 123326117

IUPACN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(N(CC)CC)C1
InChIInChI=1S/C17H29N7/c1-3-23(4-2)13-7-8-24(11-13)16(19)10-15(18)20-17-9-14(21-22-17)12-5-6-12/h9,12-13,19H,3-8,10-11H2,1-2H3,(H3,18,20,21,22)/b19-16-
InChIKeyFPIOICBUGUVRCS-MNDPQUGUSA-N
MW331.47 g/mol
LogP2.06
Rot. Bonds7

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

N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide (PubChem CID 123326117) has the molecular formula C17H29N7 and a molecular weight of 331.47 g/mol. Its IUPAC name is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide.

Molecular Properties

Compound NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
PubChem CID123326117
Molecular FormulaC17H29N7
Molecular Weight331.47 g/mol
Exact Mass331.25
IUPAC NameN'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(N(CC)CC)C1
InChIInChI=1S/C17H29N7/c1-3-23(4-2)13-7-8-24(11-13)16(19)10-15(18)20-17-9-14(21-22-17)12-5-6-12/h9,12-13,19H,3-8,10-11H2,1-2H3,(H3,18,20,21,22)/b19-16-
InChIKeyFPIOICBUGUVRCS-MNDPQUGUSA-N
XLogP2.06
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.47
LogP ≤ 52.06
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-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide?
The IUPAC name of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide (CID 123326117) is N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide.
What is the SMILES notation for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide?
The canonical SMILES for N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide is [H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N1CCC(N(CC)CC)C1.
What is the InChIKey of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide?
The InChIKey is FPIOICBUGUVRCS-MNDPQUGUSA-N. The full InChI is InChI=1S/C17H29N7/c1-3-23(4-2)13-7-8-24(11-13)16(19)10-15(18)20-17-9-14(21-22-17)12-5-6-12/h9,12-13,19H,3-8,10-11H2,1-2H3,(H3,18,20,21,22)/b19-16-.
What are the key properties of N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide?
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[3-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide has a molecular weight of 331.47 g/mol, XLogP of 2.06, 7 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-(diethylamino)pyrrolidin-1-yl]-3-iminopropanimidamide is sourced from PubChem (CID 123326117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).