1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide

C14H25N7 — CID 123207635

IUPAC1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N(C)CCN(C)C
InChIInChI=1S/C14H25N7/c1-20(2)6-7-21(3)13(16)9-12(15)17-14-8-11(18-19-14)10-4-5-10/h8,10,16H,4-7,9H2,1-3H3,(H3,15,17,18,19)/b16-13-
InChIKeyHGXPDLVBGAPEAM-SSZFMOIBSA-N
MW291.40 g/mol
LogP1.14
Rot. Bonds7

About 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide

1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide (PubChem CID 123207635) has the molecular formula C14H25N7 and a molecular weight of 291.40 g/mol. Its IUPAC name is 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide.

Molecular Properties

Compound Name1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide
PubChem CID123207635
Molecular FormulaC14H25N7
Molecular Weight291.40 g/mol
Exact Mass291.22
IUPAC Name1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide
SMILES[H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N(C)CCN(C)C
InChIInChI=1S/C14H25N7/c1-20(2)6-7-21(3)13(16)9-12(15)17-14-8-11(18-19-14)10-4-5-10/h8,10,16H,4-7,9H2,1-3H3,(H3,15,17,18,19)/b16-13-
InChIKeyHGXPDLVBGAPEAM-SSZFMOIBSA-N
XLogP1.14
TPSA97.39 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 51.14
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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Related Compounds

1-(3-cyclopropyl-1H-pyrazol-5-yl)piperazine
CID 63049913
1-[3-(1-methylcyclopropyl)-1H-pyrazol-5-yl]piperazine
CID 75356561
4-(5-cyclopropyl-1H-pyrazol-3-yl)-N-propylpiperazine-1-sulfonamide
CID 132383325
(E)-N-(1-bromoethenyl)-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-2-fluorobut-2-enimidamide
CID 90383894
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-(4-fluoropiperidin-1-yl)-3-iminopropanimidamide
CID 123691679
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-[4-(2-fluoroethyl)piperazin-1-yl]-3-iminopropanimidamide
CID 123827341
N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-imino-3-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]propanimidamide
CID 123884886
(e)-n'-(3-Tert-butyl-1h-pyrazol-5-yl)-n,n-dimethylformimidamide
CID 13469998
(5-Cyclopropyl-2H-pyrazol-3-yl)-(3-methyl-butyl)-amine
CID 57910123
3-cyclopropyl-N-isopropyl-1H-pyrazol-5-amine
CID 63048309
5-cyclopropyl-N-(2-methylpropyl)-1H-pyrazol-3-amine
CID 63049373
(E)-N'-(3-isopropyl-1H-pyrazol-5-yl)-N,N-dimethylformimidamide
CID 66643263

Frequently Asked Questions

What is the IUPAC name of 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide?
The IUPAC name of 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide (CID 123207635) is 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide.
What is the SMILES notation for 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide?
The canonical SMILES for 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide is [H]/N=C(/C/C(N)=N/c1cc(C2CC2)[nH]n1)N(C)CCN(C)C.
What is the InChIKey of 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide?
The InChIKey is HGXPDLVBGAPEAM-SSZFMOIBSA-N. The full InChI is InChI=1S/C14H25N7/c1-20(2)6-7-21(3)13(16)9-12(15)17-14-8-11(18-19-14)10-4-5-10/h8,10,16H,4-7,9H2,1-3H3,(H3,15,17,18,19)/b16-13-.
What are the key properties of 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide?
1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide has a molecular weight of 291.40 g/mol, XLogP of 1.14, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-(5-cyclopropyl-1H-pyrazol-3-yl)-3-N-[2-(dimethylamino)ethyl]-3-N-methylpropanediimidamide is sourced from PubChem (CID 123207635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).